[gmx-users] Issue with g_lie

Sainitin Donakonda saigro16 at gmail.com
Tue Jul 9 17:08:20 CEST 2013

Hi Everybody,

I want to use g_lie for my protein-drug complex to get binding energy ..i
read some information that we need take care some issues if we used PME

Indeed i have used PME in my simulation..

Can any body explain which parameters to be taken care while running g_LIE
and what is the isssue with PME ..


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