Dear Amber !
I have equilibrated the system using NPT method !
I would like to give two different run using the same .
i tried in changing the velocity with the ig flag option in the md run file , but it is
not working !
it says error " peek_ewald_inpcrd: SHOULD NOT BE HERE"
can any one say me what are the other possible way to give MD run !
regards
balaji
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Received on Thu Jun 23 2011 - 13:00:04 PDT
