[AMBER] tleap for gammacyclodextrin-Reg.

From: Shreeramesh <shreeramesh.gmail.com>
Date: Tue, 24 Jun 2014 08:18:25 -0700


I have run tleap gammacyclodextrin using GLYCAM_06h

However the linkage between GLC1 and GLC8 has been broken in solvated
complex, though the gammacyclodextrin is intact in input file and GLC has
been changed to 4GA

I also enclosed the input file of gammacyclodextrin (rec.pdb) and solvated
complex (com_solvated.pdb)

Can anybody suggest to solve this problem? How to maintain the linkage
between GLC1 and GLC8 in solvated complex

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Received on Tue Jun 24 2014 - 08:30:02 PDT
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