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AMBER Archive (2009)Subject: [AMBER] Disappearing common atoms in Amber 10 with TI
From: Khavrutskii, Ilja (ikhavrutskii_at_ucsd.edu)
Hi,
I was trying to disappear/decouple a common atom using icfe=1, ifsc=0, and scmask, but that does not seem to work as I get zero in the vdW field of DV/DL averages. Does the scmask only work with soft core? If so, is there a way to set vdW parameters to zero in the input file or if not using xleap/tleap? Thanks,
-Ilja
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