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.
thanks
Fatima
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Received on Fri Oct 04 2013 - 05:00:03 PDT
