[gmx-users] Query regarding gaps between lipid molecules in a heterogenous system of 1464 dopc and dopg

Antara mazumdar antara.mazumdar at igib.in
Mon Feb 9 13:41:23 CET 2015

i got the following result after EM of this system of mine.

writing lowest energy coordinates.

Steepest Descents converged to Fmax < 1000 in 15280 steps
Potential Energy  = -5.0853170e+06
Maximum force     =  9.9438867e+02 on atom 179440
Norm of force     =  7.8095098e+00
 Should i go ahead with NVT and NPT? --



Systems Biology Group
CSIR - Institute of Genomics & Integrative Biology
South Campus, New Delhi-110020

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