AMBER Archive (2008)

Subject: AMBER: ff99 (PK/IDIVF)

From: saurabh agrawal (imsam100_at_yahoo.co.in)
Date: Fri Dec 12 2008 - 07:26:58 CST

Dear Amber Users,

In xleap leaprc.ff99 parameters looks like:
                 N     Pk/IDIVF    Po
?-c-c-?       2     3.6250        Pi

While In parm99.dat file torsional angle parameters are as given:

x-c-c-x      4        14.50       180         2

May some one explain the meaning of Pk/IDIVF (red) field in torsional angle parameters in the ff99 force field and and the formula to calculate it.
Also the caption of the fields in the parm99.dat file.

Sincere regards,

Thanking you in advance.

Saurabh

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