VMD-L Mailing List

From: Guy Coates (gcoates_at_pugh.bip.bham.ac.uk)
Date: Wed Oct 27 1999 - 07:24:17 CDT

I am having problems reading in a constant pressure dynamics dcd file
generated with charmm25b1 on Irix6.5. I have tried viewing the trajectory
in both vmd 1.3 and 1.4b1 (again, both running on Irix6.5, so there is no
nasty endian problem).

I can view the trajectory in quanta97, so I assume that the trajectory
file is not mangled, and I can view test dcd's produced by charmm with
vmd.

Any suggestions?

Thanks,

Guy Coates

--------- (VMD error message below)----
Info) Loading new molecule ...
Atom:1 SN:TIP3 ID: 1 RN:TIP3 NM: OH2 TP: Q=-0.834 M=+15.999
Atom:2 SN:TIP3 ID: 1 RN:TIP3 NM: H1 TP: Q=+0.417 M=+1.008
Atom:3 SN:TIP3 ID: 1 RN:TIP3 NM: H2 TP: Q=+0.417 M=+1.008
Atom:4 SN:TIP3 ID: 2 RN:TIP3 NM: OH2 TP: Q=-0.834 M=+15.999
Info) Analyzing structure ...
Info) Atoms: 3000 Bonds: 3000
Info) Backbone bonds: Protein: 0 DNA: 0
Info) Residues: 1000
Info) Waters: 1000
Info) Segments: 1
Info) Fragments: 1000 Protein: 0 Nucleic: 0
Info) Finished with coordinate file /tmp_mnt/home/pugh/dflint/charm/trajectories/water-heat.dcd.

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