[AMBER] changeLJ14Pair

From: CHAMI F. <fatima.chami.durham.ac.uk>
Date: Fri, 4 Oct 2013 11:52:24 +0000

Dear Jason,

I have downloaded AmberTools 13 and I looked in the manual. I would like to change the scaling factor scnb
on some part of my system: let say the rigid and flexible part of my molecule have different scaling of VDW 1-4 interaction .using the following command in parmed ..

Usage: changeLJ14Pair <mask1> <mask2> <Rmin> <epsilon>

after this change would the vdw 1-4 scaled with sfnb again

This command is similar to changeLJPair above, except it alters the 1-4 Lennard Jones terms
only. Note that this command is only available for chamber-created topology files, and will
result in an error if applied to a normal topology created with leap.

AMBER mailing list
Received on Fri Oct 04 2013 - 05:00:03 PDT
Custom Search