Re: [AMBER] RESTRAINT FILE

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 19 Mar 2014 21:54:03 -0400

On Thu, Mar 20, 2014, Sourav Purohit wrote:

> The simulation ran. But I wanted to know if the results have any chance of
> being wrong.

I'll second Jason here: run a 10-step simulation with and without the extra
commas, and compare the results. I'm guessing that you'll get the same
results, but it could be compiler/OS dependent, so just try it.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 19 2014 - 19:00:04 PDT
Custom Search