AMBER: cap and ptraj

From: Fabien CAILLIEZ <Fabien.Cailliez.ibpc.fr>
Date: Wed, 20 Jul 2005 00:14:50 +0200 (CEST)

Dear all,

I want to use ptraj from AMBER8 to analyse trajectories of simulations
with water capping.

When I load the topology file, there is this message :

Scanning Cap; this has not been debugged

Does it mean that ptraj is not able to treat files with capping
information ? Or that only some of the commands do not work with those
files (in this case, which of them)?

Thanks in advance for your answers,
Fabien
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jul 19 2005 - 23:53:00 PDT
Custom Search