[gmx-users] CMAP for alanine dipeptide in Charmm27 ff

Jianguo Li ljggmx at yahoo.com.sg
Mon Oct 10 13:00:21 CEST 2011

which gromacs version are you using? cMAP is implemented in v4.5  or later


From: César Ávila <clavila at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Sunday, 9 October 2011 12:07 AM
Subject: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

I would like to run REMD simulations on the alanine dipeptide using the Charmm27ff + CMAP. Still, after processing the pdb with pdb2gmx, I do not see any entrance referring to the cmap term in the topology file. Does this mean that Cmap won't be calculated? 

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