[gmx-users] Position Restraint File for grompp

Francis Coleman jfd1g at outlook.com
Tue Oct 30 10:40:11 CET 2018


I've been using CHARMM-GUI in an attempt to form coarse-grain vesicles but things aren't working out for one system. Before I start changing anything, I was wondering how the position restraint file for the lipid tails i.e. lipidtail_posres.pdb was generated. Or more generally, what is the command to generate a position restraint file that can be read by grompp with the '-r' option? In the past, I've only applied restraints to proteins and it was clear what  commands I required.


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