AMBER Archive (2005)

Subject: AMBER: reading frcmod torsional parameters

From: ivan_at_mmb.pcb.ub.es
Date: Mon Dec 12 2005 - 07:44:36 CST

Dear amber comunity,

When I create a frcmod file that is going to have a new general torsion
parameters and a specific torsion parameter that is included in the
general (let's say X-CT-CI-X and CT-CT-CI-HC)

two things:

- Do they have to be written in the frcmod file in a certain order, I mean
firstly the general and then the specific ones ?

- If idivf = 9 for the general torsion, do I have to change this to 8 if I
am explicitly including one specific torsion or this is already taken
into acount by the program itself?

All the best,

Ivan.

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