On Thu, Jun 02, 2005, Li Su wrote:
>
> If you know how amber treats "ntf=4" ( all bonds and valence angles
> involving H atoms being omitted), say amber just not to calculate the
> forces involved, could you please tell me?
Amber just skips the routines that compute these forces, depending on the
value of ntf. Look at $AMBERHOME/src/sander/force.f and search for "ntf".
....dac
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Received on Thu Jun 02 2005 - 16:53:00 PDT
