AMBER Archive (2004)

Subject: AMBER: ptraj-6.5

From: cailliez (Fabien.Cailliez_at_ibpc.fr)
Date: Thu Apr 15 2004 - 04:42:36 CDT

Dear Amber users,

I am a little confused with the updates on ptraj-6.5.

First, I did not understand if the problem of ptraj cutting

the last atom of an atom mask range (bugfix.29 for AMBER7.0)

has been fixed in this version because the code is the same as

the old one that had to be changed in ptraj.c.

Then I do not understand why the numbering of the output files begins

at 2 (that is when your input is a trajectory containing 50 frames and you

want to output all the pdb files for each frame, the output files are

xxx.pdb.2 to xxx.pdb.51 instead of being xxx.pdb.1 to xxx.pdb.50 as was the

case before).

Best regards,

Fabien 

--
__________________________________________________________________
Fabien Cailliez                         Tel : 01 58 41 51 63
Laboratoire de Biochimie Théorique      e-mail : cailliez_at_ibpc.fr
IBPC    13, rue Pierre et Marie Curie
75005 Paris
__________________________________________________________________

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