Re: [AMBER] error in reading namelist cntrl

From: case <>
Date: Mon, 5 Apr 2010 10:17:28 -0400

On Mon, Apr 05, 2010, Hyma vathi wrote:

> numgroup must be 2 if icfe is set

It looks like you may be new to TI calculations. Study the manual, and
look at the sample runs in amber10/test/pheMTI and amber10/test/campTI.
You need to use the "-ng" and "-groupfile" flags.


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Received on Mon Apr 05 2010 - 07:30:04 PDT
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