Dear all
I am trying to do energy minimization with my protein, unfortunately it was stopped and gave the following error:
NSTEP ENERGY RMS GMAX NAME NUMBER 71 NaN NaN 0.0000E+00 N 1
BOND = NaN ANGLE = NaN DIHED = NaN VDWAALS = 0.0000 EEL = 0.0000 EGB = -48743.1044 1-4 VDW = NaN 1-4 EEL = NaN RESTRAINT = 0.0000
The pdb file of protein as well as output file are attached.
Your help in this regard would be appreciated.
All the bestMaryam
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- application/octet-stream attachment: min.out
Received on Wed Feb 10 2016 - 04:30:05 PST
