Dear All:
In the MD simulations with AMBER, we set
ioutfm=1( Binary NetCDF trajectory) to make the trail file (.mdcrd)
smaller ,high precision and much fast to read and write
,and and able to accept a wider range of coordinate values .
The input file as following:
######################################
&cntrl
imin=0,irest=1,ntx=5,ntxo=2,iotfm=1,
nstlim=15000000,dt=0.002,
ntc=2,ntf=2,ntb=2,
ntp=2,taup=2.0,cut=10,
ntpr=500,ntwx=1000,ntwr=1000,
ntt=3,gamma_ln=2.0,temp0=300.0,tempi=300.0,
/
#########################################
However, the obtained trajectory file can not be displayed with VMD . Can
anyone give some suggestions how should I do to display the trajectory
with VMD ?
Thank you for your kindhearted and give my best wishes to you.
Yanyan Zhu Sichuan university,China
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Received on Thu Sep 26 2013 - 02:30:03 PDT
