Re: [AMBER] Fwd: AMBER Digest, Vol 926, Issue 1

From: David A Case <>
Date: Sat, 26 Jul 2014 09:21:12 -0400

On Sat, Jul 26, 2014, Changqing Yan wrote:

> Thanks dac. You got the problem right. I used tleap in Amber 9 to generate
> the pdb file and used Amber 12 to run MD.
> All in all, the answer I really want to know is, are the MD and free energy
> calculation results reliable? Thanks.

You can use the program (or a text editor) to examine the masses in
your prmtop file to make sure they are the correct ones. (I expect they will
be OK).


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Received on Sat Jul 26 2014 - 06:30:02 PDT
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