VMD-L Mailing List

From: Alexandre Suman de Araujo (asaraujo_at_ibilce.unesp.br)
Date: Wed Sep 14 2011 - 07:22:33 CDT

Hi all

I'm trying to model a small molecule using the CgenFF force field with
Paratool VMD plugin. However, when I try to load top_all36_cgenff.rtf
topology file a receive the following error message:

list element in quotes followed by "." instead of space
list element in quotes followed by "." instead of space
     while executing
"lindex $line 0"
     (procedure "::Toporead::read_charmm_topology" line 36)
     invoked from within
"::Toporead::read_charmm_topology $file"
     (procedure "::Paratool::opendialog" line 112)
     invoked from within
"::Paratool::opendialog topo"
     invoked from within
".paratool.topo.list.buttons.add invoke"
     ("uplevel" body line 1)
     invoked from within
"uplevel #0 [list $w invoke]"
     (procedure "tk::ButtonUp" line 22)
     invoked from within
"tk::ButtonUp .paratool.topo.list.buttons.add"
     (command bound to event)

So I ask: Does Paratool support CgenFF?

If yes, does anyone could help me with this error message?

If no, someone could tell me if Paratool is still under development or
not, since the author (Jam Saam) web page indicated in paratool page in
VMD website (http://bioinf.charite.de/biophys/people/saam) does not
exist anymore? There is any plan to implement CgenFF support in Paratool?

Cheers 

-- 
Alexandre Suman de Araujo