The number of QM atoms received is different than expected

From: Haohao Fu (fhh2626_at_gmail.com)
Date: Fri Sep 08 2017 - 04:01:24 CDT

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Dear NAMD developers:

When I run a QM/MM simulation with *qmLiveSolventSel on*, NAMD always
raises an "The number of QM atoms received (aa) is different than expected:
bb". Could someone tell me how to fix the problem?

I use:

qmLiveSolventSel on
qmLSSResname TIP3 (I also tried "TIP")
qmLSSFreq 1 (also tried 5, 10, 50)
qmLSSMode dist (also tried COM)
qmLSSRef "1 A8 1"

Thanks!

Haohao

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