AMBER Archive (2004)

Subject: Re: AMBER: sander8

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Sat Oct 09 2004 - 12:39:34 CDT

Vincent,
do you have a &wt section in your input?
If no, you probably need it right after the first &end.
If you do, can you send the input file?
Carlos

===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

Vincent Bisetty wrote:

>Dear Carlos,
>Thanks for your message. Using the input files from my last message, I
>executed sander.run (in amber8)-the job ran, but my tmp.out was a blank
>file. Iam not sure why? Please help...
>Heres the other sander input file:
>cd /usr/people/vincent/disk2/vin/cage03
>/usr/local/amber8/exe/sander \
>-O -i amber8min.in -c 1000.crd -p xo3.top -o tmp.out -r 1000.rst
>
>regards
>vincent.
>--
>
>Dr K Bisetty
>Senior Lecturer
>Department of Chemistry
>Steve Biko Campus
>Durban Institute of Technology
>P O BOX 1334
>Durban
>4000
>Tel : +27-031-2042311
>Fax : +27-031-2022671
>"ND-4-SPD"
>bisettyk_at_dit.ac.za
>
>
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