Dear amberusers,
I want to know whether Plumed 1.3 is compatible with amber12? i installed
amber 12 along with plumed1.3. During installation there was no error
message. But all plumed tests were failed and for my own system when i run
sander with plumed, it says "error in reading namelist cntrl". my input
file is below which has additional 2flags for plumed.
&cntrl
imin = 0, ntx = 7, irest = 1,
ntpr = 1000, ntwx = 1000, ntwe = 0, ntwprt=0,
ntc = 2, ntf = 2, iwrap = 1, ioutfm = 1,
nstlim = 500000, dt =0.002,
tempi=300.0, temp0 = 300.0, ntt =1, tautp =2.0,
ntb = 2, ntp = 1, taup = 2.0, pres0 =1.0, cut = 12.0,
plumed=1 , plumedfile=’plumed.dat’
&end
Waiting for your response!
Thank you,
Rajeswari A
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Received on Mon Dec 10 2012 - 03:00:09 PST
