Dear list,
I am experiencing a problem with tleap setting up a system of multiple solutes not connected to another. I am using a pdb file that I manually edited in accordance to the syntax that was previously successful.
I have received an error message like this one after a fixed number of successful steps:
Bond: Maximum coordination exceeded on .R<4SN 1>.A<H62 8>
-- setting atoms pert=true overrides default limits
ATOMS NOT BONDED: .R<4SN 1>.A<H32 9> .R<4SN 1>.A<H62 8>
I have searched for a solution for this problem, tried to find flags that I could set, but there is nothing in the documentation that can help me out.
Hope somebody can point me in the right direction. Thanks in advance...
Sven
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Received on Fri Apr 18 2008 - 21:19:14 PDT
