[AMBER] give_diff_runs

From: balaji nagarajan <balaji_sethu.hotmail.com>
Date: Fri, 24 Jun 2011 00:59:47 +0530

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 !


AMBER mailing list
Received on Thu Jun 23 2011 - 13:00:04 PDT
Custom Search