[gmx-users] Regarding top2psf script

Venkat Reddy venkat4bt at gmail.com
Thu Apr 18 11:15:48 CEST 2013

Dear all,
I want to reverse transform my CG lipid system to AA. I have been using
g_fg2cg but I am getting some errors (like "Atoms in the .top are not
numbered consecutively from 1"). So, I intend to use the script
top2psf.plwritten by Dr.Lemkul, so that I can avail the help of VMD in
conversion. Can we use it for pure lipid systems (say

When I tried to execute it, I am getting the following error
 "Cannot open angles for reading: No such file or directory"

Thanks for your concern

With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras

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