[gmx-users] energy minimization

Rui Qiao ruiqiao at ews.uiuc.edu
Wed Feb 13 05:41:06 CET 2002

Dear All:
	I am doing an energy minimization using Gromacs. The initial
system is some water molcular in channel (I insert the water using
genbox). But the energy minimization always reports the potential energy
to be nan, which perhaps suggest a local contact. 
	Is there any way to get around this?



Rui Qiao
Research Assistant
Beckman Institute, UIUC

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