[AMBER] tleap for gammacyclodextrin-Reg.

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

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

Hi,

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

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

chemical/x-pdb attachment: rec.pdb

chemical/x-pdb attachment: com_solvated.pdb

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