Moutusi Manna wrote:
I want to perform simulation of transmembrane
peptide. I have a perseuillibrated POPO (hydrated)
bilayer (using CHARMM),containing more than 32,000
atom. But when I try to convert ".pdb" to ".gro" using
"pdb2gmx", it shows the following error
The role of pdb2gmx is not convert a .pdb to a .gro, it is to generate a
topology file from a structure file. It outputs a structure file that is
consistent with that topology file, but that structure file can be in
several formats. See pdb2gmx -h.
Fatal error:
Residue "popc" not found in residue topology detabase
Please suggest how I can overcome this problem .
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database
If this makes no sense (and even if it does) reading relevant parts of
chapter 5 of the GROMACS manual will be needed here.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
