VMD-L Mailing List

From: Qinghua Liao (scorpio.liao_at_gmail.com)
Date: Wed Jun 21 2017 - 12:20:43 CDT

Hello,

I have used psfgen in vmd to generate the psf file of my protein, then I
want to convert the psf file to top file with topotools,
but I failed.

I used these commands:

package require topotools
mol load psf ubq.psf pdb ubq.pdb
topo writegmxtop ubq.top [list ../../common/par_all27_prot_lipid.inp]

then I got the error of " *invalid command name "..." *"

But if I remove [list ../../common/par_all27_prot_lipid.inp ], then I
can get the gmx top file, but it does not have all the parameters
for the topology file. Could someone give me some tips? Thanks a lot!

All the best,
Qinghua