Re: [AMBER] Need help in Targeted MD

From: David A Case <>
Date: Mon, 5 Jan 2015 07:34:52 -0500

On Mon, Jan 05, 2015, Pallavi Mohanty wrote:

> FATAL: NATOM mismatch in constraint coord and topology files.

You set ntr=1, so the program will be reading constraint coordinates
(specified with the -ref flag.) The number of atoms in this file does not
match the number atoms in your prmtop file. You'll have to examine your input
files to figure out why this is so.


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Received on Mon Jan 05 2015 - 05:00:03 PST
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