You really do need to follow all the directions I gave for modifying
your pdb file. You also have to use the leap commands I gave you.
On Tue, Jun 24, 2014 at 11:18 AM, Shreeramesh <shreeramesh.gmail.com> wrote:
> 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
>
--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 24 2014 - 11:00:02 PDT
