you need to set NTWXM to a smaller number, like 1.
sander_classic doesn't write to the trajectory file until
after NTWXM steps, and the default is large (999999).
Carlos
===================================================================
Carlos L. Simmerling, Ph.D.
Assistant Professor Phone: (631) 632-1336
Department of Chemistry Fax: (631) 632-1555
SUNY at Stony Brook Web: http://comp.chem.stonybrook.edu/carlos
Stony Brook, NY 11794-3400 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================
----- Original Message -----
From: "wentaofu" <wentaofu_at_uic.edu>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Wednesday, October 31, 2001 2:57 PM
Subject: sander_classic
> Dear Amber users,
>
> I am running a MD simulation using sander_classic (amber 6.0). I got the
> mdout (-o mdout) and restrt (-r restrt) results OK. But, I can not get -x
> mdcrd (The coordinate sets over trjactory) and -e mden(energy data over
> trajectory). It seems there is a problem on writting above trjactory
files.
> Is there a way to fix this problem.
>
> Thanks,
> Wentao Fu
>
Received on Wed Oct 31 2001 - 12:57:43 PST
