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

César Ávila clavila at gmail.com
Sun Oct 9 21:31:15 CEST 2011

It looks like pdb2gmx does not generate an entrance for cmap terms. I added
it manually to the topology file.

2011/10/8 César Ávila <clavila at gmail.com>

> 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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