AMBER Archive (2004)

Subject: Re: AMBER: nmode:Number of atoms in -p and -c files do not agree!

From: myang_at_vitamin.uni.cc
Date: Mon Nov 15 2004 - 19:26:17 CST

Dr. Case, Thank you! You remind me to read the code by myself. And I
found that the ntx variable was set to 0 in my input file. Therefor,
the modified part of the code did not function. Now everything is ok,
after the ntx was set to 1.

Thanks again!

Mingfeng Yang

On Mon, Nov 15, 2004 at 01:43:15PM -0800, David A. Case wrote:
> On Mon, Nov 15, 2004, myang_at_vitamin.uni.cc wrote:
> >
> > Thank you for your reply! Surely the number of atoms in the topology
> > file and coordinate file (attached) are the same, so I had that question.
>
> Add a space after the end of the second line in the coordinate file; that
> should force things to be read correctly.
>
> ...dac
>
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