Hii All;
We are just testing with some gamma cyclodextrins to set up a system. The
file is attached herewith. This is a glucose 1-4 linked cyclic moiety.
We wished to generate parameters for this system using GLYCAM force field.
We uploaded glycam library in the tleap but leads to a fatal error saying "
GLC atom type not found. As GLC is denoted the cyclodextrin in this case.
Could anybody help which we should edit instead of GLC so that tleap
recognise it as glucose and atom types should be recognizable by tleap.
And which glycam ff we should use for this type of cyclodextrin unit.
Help will be highly appreciated.
Thank you all in advance.
--
Thanks & Regards;
Soumendranath Bhakat
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Received on Wed Jun 11 2014 - 12:00:02 PDT
