Re: Membrane Protein Simulation Problems

From: Peter Freddolino (
Date: Sat Oct 13 2007 - 15:29:19 CDT

> This is not true. CHARMM 27 already includes the CMAP correction.
> However, if you use the GUI version of PSFGEN in VMD with the
> predefined ff, many times it doesn't write out the CMAP crossterms.
> Just give it a try!
The default topology file with autopsf does not include crossterms,
which probably explains why you don't see them written ;-)
If you use a topology file with crossterms things should work fine,
although as noted in the documentation you should also use the regen
option in this case.

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