AMBER Archive (2003)

Subject: [Fwd: Re: trajectory file in mm_pbsa]

From: Holger Gohlke (gohlke_at_scripps.edu)
Date: Tue Feb 04 2003 - 11:47:08 CST

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
http://www.amber.ucsf.edu/amber/bugfixes70.html

Best regards

Holger 

-- 
+++++++++++++++++++++++++++++++++++++++++++++
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
+++++++++++++++++++++++++++++++++++++++++++++