[AMBER] How to fix 1-4 ELE error

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Thu, 15 Jan 2015 17:17:18 +0200

Dear Users,

I am simulating flavin adenine dinuecleotide complex. During the
minimisation, the atoms neighbouring to two phosphorus of FAD, stack
together and are giving 1-4 ELE errors. However the parameterized structure
of FAD looks fine in leap. I have attached two snapshots before and after
minimisation which may clear my issue.
   I will be very thankful for every suggestion to fix the problem.

Regards
Kshatresh


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Received on Thu Jan 15 2015 - 07:30:03 PST
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