Re: [AMBER] MMPBSA problem

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 26 Feb 2013 08:48:04 -0500

On Tue, Feb 26, 2013, Tommy Yap wrote:

> But error occurs stating that my prmtop file
> ligand+receptop doesnt tally with complex. Is there any way to solve this?

Yes: make sure the number of atoms in the complex prmtop file is the sum of
those in the ligand plus receptor files.

There is no way to get *help* in doing this without providing (a lot)
more information.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 26 2013 - 06:00:04 PST
Custom Search