Dear list,
I ran amber MD with this .in file:
md, npt, equilibrium to 300K quickly,
&cntrl
imin = 0, ntx = 7, irest = 1, ig=-1
ntpr = 1000, ntwx = 1000, ntwe = 0, ntwprt=0, ntwr=50000,
ntc = 2, ntf = 2, iwrap = 1, ioutfm = 1,
nstlim = 10000000, dt =0.002,
temp1=300.0, temp0 = 300.0, ntt =1, tautp =2.0,
ntb = 2, ntp = 1, taup = 2.0, pres0 =1.0, cut = 12.0,
&end
END
END
However, when I tried to read the trajectory file in VMD, it says incorrect
number of atoms <0> in mdcrd file. Meanwhile, the prmtop file has normal
number of atoms. Do you know what's going wrong here? Thanks!
Best,
Wenze Gu
Department of Chemistry
Brown University
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 01 2018 - 11:30:02 PST
