Hello
I want to perform mix-solvent MD in amber and to prevent aggregation ofbenzene probes, I need to set virtual sites on the probes with L-J repulsions between themselves merely. My parameters for &rule were as follows and I got an error said "ReadEPRuleFile >> Error. Extra point name unspecified." So I wonder what the correct format of "epname" or "atom" required. What's more, I am a little confused if any parameters needed for "excl[1,2]".
I really appreciate for your help!
&rule
frame[1,2]: C1 C4
epname: VSB
atom: VSB
style: 1
excl[1,2]
v12: 0.5
Sig: 21
eps: 0.01
residue: UNK
&end
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Received on Fri May 29 2020 - 02:00:02 PDT
