[gmx-users] topology of ligand contains boron
subho_1997 at yahoo.com
Mon Nov 30 13:09:55 CET 2015
Can someone please answer my question, about how to find forces on the atoms of the "frozen" molecule/group.
Sent from my HTC
----- Reply message -----
From: "Low Chen Fei" <lowcf84 at ukm.edu.my>
To: <gromacs.org_gmx-users at maillist.sys.kth.se>
Subject: [gmx-users] topology of ligand contains boron
Date: Mon, Nov 30, 2015 3:19 AM
im currently running MD simulation of protein-ligand complex. but the
ligand that im running contain boron. i failed to obtain the ligand
topology from PRODRG, thus my analysis cant progress since then. would like
to ask for opinion how can i solve this situation.?
Low Chen Fei, PhD
Institute of Systems Biology (INBIOSIS)
Universiti Kebangsaan Malaysia
Selangor Darul Ehsan
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