AMBER Archive (2005)

Subject: AMBER: cap and ptraj

From: Fabien CAILLIEZ (Fabien.Cailliez_at_ibpc.fr)
Date: Tue Jul 19 2005 - 17:14:50 CDT

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
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