Problem of running NAMD

From: Yingzhe Liu (yingzhe.cn_at_gmail.com)
Date: Wed Dec 08 2010 - 04:37:45 CST

Dear NAMD users,

How to modify the script of spawn_namd.tcl to run the example
of REMD which is included in the NAMD software.

The version of NAMD used in our cluster is 2.7b2.
The platform of NAMD is Linux-x86_64-ibverbs (InfiniBand via
OpenFabrics OFED, no MPI needed). The following command line
is used to run conventional MD simulation.

charmrun namd2 +pN ++nodelist $nodelist $conf > $log

Any information will be appreciated!

Best regards,

yingzhe

-- 
Yingzhe Liu
   Ph.D. Student of Analytical Chemistry
 Chemistry Department, Nankai University
 Tianjin, P.R.China, 30071
 Tel: +86-022-23509425
Web: http://chinfo.nankai.edu.cn/

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