which gromacs version are you using? cMAP is implemented in v4.5 or later
Jianguo
________________________________
From: César Ávila <[email protected]>
To: Discussion list for GROMACS users <[email protected]>
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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