Dear Amber,
When we use igb=7 or 8, there is an error message:
CalcError: "pathway" failed with prmtop "protein".prmtop.
error occured on rank "number".
However, we don't encounter the same issue in igb=1 or 2 or 5.
Here is the input file for igb=7 & 8
&general
keep_files=2, use_sander=1,
/
&gb
igb=7, saltcon=0.100,
/
Could someone help out? Thanks.
Cheers,
Henry
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Received on Sat Feb 02 2013 - 16:00:02 PST
