[gmx-users] How to restrain ligand atom position

Hitesh singla hiteshsingla123 at gmail.com
Wed Apr 15 09:05:20 CEST 2009

Dear all,

I have generated .itp file for ligand using PRODRG server which i included
in topology file. Now for position restrained dynamics, i wanted to restrain
atom positions for ligand and protein . But porse.itp which generated using
pdb2gmx contain restraints for protein only. Kindly provide me the solution
to restrain ligand atoms.

Hitesh Singla
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090415/46c5dfb8/attachment.html>

More information about the gromacs.org_gmx-users mailing list