Dear gmx users,
By trials, I find a strange thing: After some energy minimizations (EM) in
parallel, steep and cg, the system would explode into parts
unexpectedly(between parts, long distance does not facilitate formation of
covalent bonds as should); However, while running EM not in parallel, the
system seem to behave properly. Could you explain it? Thank you very much for
any reply.
Best regards,
Chaofu Wu, Dr.
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