amber-developers: Re: AMBER: RE: trouble stripping waters with ptraj

From: David A. Case <case.scripps.edu>
Date: Sat, 20 May 2006 12:45:48 -0700

On Sat, May 20, 2006, Carlos Simmerling wrote:

> did you use "nobox" when you wrote the stripped trajectory
> from ptraj?

Tom, Carlos:

Do you see any reason why "nobox" should not be the default if a strip
command is encountered?

[And, "nobox" should also be the default if the trajin doesn't have box
info -- do we test for this?

....dac
Received on Sun May 21 2006 - 06:07:14 PDT
Custom Search