Dear Amber community, is there a way to slightly turn off positional
restraints (ntr=1, restraint_wt) on a molecule?
I though a line like
&wt type='REST', istep1=0, istep2=100, value1=1.0, value2=0, &end
could work, but as &wt is related to nmropt=1 I am not sure if it would
also affect the keyword ntr=1.
Thanks in advance,
David.,
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Received on Fri Jul 10 2020 - 19:00:04 PDT
