AMBER Archive (2005)

Subject: Re: AMBER: How does Amber8 implemnet ntf=4?

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Jun 02 2005 - 10:53:36 CDT


it works like the manual says- bonds and angles with hydrogen are not
calculated. did you try it and see something different?

Li Su wrote:

> Dear amber users,
> 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? Thank you in advance for
> your kind reply.
>
>
>
> Best,
> Li
>
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