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!
-- 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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