On Tue, Nov 03, 2020, Sarah Jane wrote:
>Dear All,I am getting the following error during minimization:
VDWAALS = NaN EEL = NaN HBOND = 0.0000
1-4 VDW = NaN 1-4 EEL = Infinity RESTRAINT = 0.0000
It seems very likely that you have one or more pairs of atoms that are
on top of each other in your starting coordinates. Use the "check"
action in cpptraj to look for bad contacts; visualization of your
starting coordinates may also help.
....dac
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Received on Mon Nov 02 2020 - 18:00:03 PST
