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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Received on Mon Dec 12 2005 - 14:53:00 PST
