Hello everyone,
To get ride of the Error: PB bomb in pb_reslist(): maxnbr too small I have changed the cutres into 16, and the same problem does not show up again.
However the program exit when "Calc delta from raw data". The output is:no data for 0+0 PB ELRAELE 0. And there is no BOND VDWAALS and 1-4 VDW of both receptor and complex for some snapshots.
So do you have any suggestions on this problem.
Thanks a lot for your kind help
Pang Xueqin
DICP CAS
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Received on Thu Jan 07 2010 - 02:00:02 PST
