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

From: John Mongan <jmongan.mccammon.ucsd.edu>
Date: Tue, 23 May 2006 09:18:51 -0700

>> 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?

Just want to point out that the current command syntax doesn't seem to
have a "box" option corresponding to "nobox", so if anything causes
trajout to default to nobox, there doesn't seem to be any way that the
user can switch off the nobox to get box info into the trajectory if so
desired.

John
Received on Wed May 24 2006 - 06:07:15 PDT
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