VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Oct 17 2005 - 17:11:32 CDT

Stan,
  I encountered the same error when I tried loading your g96 file,
I'll take a closer look at this problem and let you know what I find out.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Oct 17, 2005 at 05:26:17PM -0400, Stanley Lan wrote:
> Hello everyone,
>
> I am trying to make a movie by using the initial coordinate file and the
> trajectory file from GROMOS96 simulation result.
>
> Loading the coordinate file was not a problem but I couldn't load the
> trajectory file by selecting the g96 format. VMD showed the following
> error msg:
> "No Structure information in file /<path>/<trajectory file>"
> "ERROR) Could not read file /<path>/<trajectory file>"
>
> If I selected any other available formats, VMD simply showed me:
> "ERROR) Could not read file /<path>/<trajectory file>"
>
> Is there a way to "turn up" the log level so that the error message can be
> more interpretable and verbose?
>
> I am using VMD 1.8.3 on a linux PC (slackware10.2)
>
> My final goal is to make a movie out of my initial coordinates and the
> trajectory from GROMOS result.
>
> Thanks in advance.
>
> -Stanley
>
> Here is part of my trajectory file (I deleted a big portion of it since
> they didn't seem important to me, I could be wrong. Please contact me if
> you need the complete file for testing.):
>
> =BOF=
> TITLE
> $Id: iempcl.dat,v 1.2 2000/10/20 12:29:39 gromos Exp $
> END
> TIMESTEP
> 147 0.518588722
> END
> ENERGY
> # ENER
> -0.3215475E+05
> 0.7724562E+04
> 0.7724562E+04
> 0.2910733E+02
> 0.2910733E+02
> 0.2910733E+02
> 0.7695455E+04
> 0.7695455E+04
> -0.3987932E+05
> 0.0000000E+00
> # 10
> 0.0000000E+00
> 0.0000000E+00
> 0.2553529E+02
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> 0.6098352E+04
> -0.4648930E+05
> -0.3175785E+03
> # 20
> 0.8036724E+03
> 0.0000000E+00
> # ENERES
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> 0.0000000E+00
> # NUMUSD
> 3
> # ENERLJ,ENERCL,ENERRF,ENERRC
> 0.4619526E+01 0.3951470E+03 -0.6761563E+02 0.6620401E+02
> 0.5665094E+02 -0.2613196E+04 0.2889851E+02 0.7374684E+03
> -0.1190074E+03 -0.9500724E+03 0.1531307E+03 0.1461857E-04
> -0.2879240E+00 0.1225865E+03 -0.2392660E+02 0.0000000E+00
> 0.7889620E+02 -0.8599962E+03 -0.1382724E+03 0.4296198E-06
> 0.6077481E+04 -0.4258377E+05 -0.2697931E+03 -0.5871092E-05
> END
> POSITIONRED
> 1.126477718 1.364905596 1.582740545
> 1.274110794 1.436378002 1.588123560
> 1.196202159 1.413280845 1.529842257
> 1.150310636 1.494140029 1.493021369
> 1.237280846 1.322410583 1.421857595
> 1.116110444 1.268722653 1.345409513
> 1.041743159 1.369518042 1.257558942
> 1.157806635 1.148080349 1.261076927
> 1.335683942 1.393326402 1.328620553
> 1.447785378 1.344178796 1.316570878
> # 10
> 1.297751665 1.514312387 1.288480163
> 1.203242421 1.546259999 1.295231819
> [Deleted]
> 2.443255663 2.409054279 2.123311281
> 2.324791193 2.998526096 1.911451221
> # 2830
> 2.352324724 2.907167435 1.881488562
> 2.311476469 2.996967316 2.010550261
> 1.946586013 2.790724039 2.087211609
> 1.871105909 2.766450882 2.025480032
> 2.012133360 2.714556694 2.089403629
> 2.275995493 2.807771683 2.853367329
> 2.291668892 2.787541151 2.756246328
> 2.206549168 2.744504929 2.888798475
> END
> BOX
> 3.045200109 3.058700085 3.006109953
> END
> =EOF=
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078