VMD-L Mailing List
From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Sat Jan 25 2014 - 23:07:30 CST
I'm using c36 as well. As long as you're happy using the standard TIP3P water you don't have to do anything - none of the atom names have changed between CHARMM versions. Your simulation will run fine.
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of zeynab mohamad hoseyni
Sent: Sunday, 26 January 2014 2:49 AM
Subject: namd-l: How to solvate a protein using C36 and not C27
I intend to use charmm36 for simulation of a transmembrane protein which already crossed a lipid bilayer.
I produced the psf file using c36 but as soon as I want to solvate the system I have to use the
solvent plug-in of vmd. I use the Solvate version 1.4 which uses c27 and not c36. Can anyone guide me how
to solvate the protein using C36?
Thanks in advance,