From: xiaojing gong (gongxiaojing1981_at_yahoo.com.cn)
Date: Sat Jul 23 2005 - 07:59:48 CDT
Dear all,
When I use minimization ,and the following are some commands in the minimization config file:
outputname min_nacl
outputEnergies 10
restartfreq 500
DCDfreq 500
binaryoutput yes
binaryrestart yes
outputTiming 100
wrapAll on
wrapNearest on
then there will be some output files:
min_nacl.restart.coor
min_nacl.restart.vel
min_nacl.vel
min_nacl.coor
and I am puzzled which one should use in the md config file command
Bincoordinates
Binvelocities
is the min_nacl.restart.coor and min_nacl.restart.vel or min_nacl.vel and min_nacl.coor, I don't know the difference between the min_nacl.vel and min_nacl.restart.vel.
Gong Xiaojing
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