[Fwd: Re: trajectory file in mm_pbsa]

From: Holger Gohlke <gohlke_at_scripps.edu>
Date: Tue 04 Feb 2003 09:47:08 -0800

Hi Eric,

> Hi, I tested the example01 with amber 7.0
> successfully. When I use mm_pbsa in my own case I can
> generate snapshots with NFREQ=1 only. I went back to
> the tutorial and found that the mdcrd file has a
> titile line CARNAL DUMP. Do I need to do anything
> similar to my trajectory generated from md
> simulations? Thanks.
> Eric

Your trajetory files only need to have the same title line in all cases
(which may be an empty line).

But you might want to see bugfix.22 at

Best regards


Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke_at_scripps.edu
Received on Tue Feb 04 2003 - 09:47:08 PST
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