Re: AMBER: Problem with leaprc

From: David A. Case <case.scripps.edu>
Date: Sat, 30 Jun 2007 08:32:03 -0700

On Sat, Jun 30, 2007, yen li wrote:

> I have downloaded the new parameters tar from AMBER website. In the new
> frcmod.ff03 file, there are two sets for the same dihedral "CT-CT-N -C or C
> -N -CT-CT" that too CT-CT-N -C with force constant 0 (effectively not being
> there at all).
>
> Is there any particular reason for so?

This is to make sure that the non-zero value in parm99.dat for this torsion
is not used.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 01 2007 - 06:07:51 PDT
Custom Search