Re: [AMBER] how to generate paramaters for GlcNH3

From: Bill Ross <>
Date: Tue, 5 Dec 2017 14:29:28 -0800

Simplest to send your prepc file for comment, also paste leap errors.


On 12/5/17 2:19 PM, Tarsis wrote:
> Dear Amber users,
> I would like to generate parameters for an oligosaccharide containing
> GlcNH3 instead of GlcNAc.
> I've tried to generate the prepc file containing the mainchain for the C1
> and O4 head/tail info as well and the mainchain but when I tried to build a
> disaccharide using m = sequence { 4ZB MOL } I get a mismatch atom error.
> Is there a simpler way of doing this? Maybe building the whole
> hexasaccharide as one ligand?
> Thanks in advance,

AMBER mailing list
Received on Tue Dec 05 2017 - 14:30:02 PST
Custom Search