But in fact, the Modeller won't produce the Hydrogen atoms,while the confliciting atoms are the H atom after I reproduce the Modeller created structure in Amber.
2010-09-27
geyan
发件人： Bill Ross
发送时间： 2010-09-27 18:16:03
收件人： amber
抄送：
主题： Re: [AMBER] can't save the PDB file to produce topology andcoordinates file
> I met a strange problem. I use Modeller to produce a target
> protein structure. When I load it in Amber using loadpdb command and
> try to save it for furthure use, error message appears, first telling
> me that there are duplicating atoms,
One thing about leap is that it expects unique atom names in each
residue, so if Modeller creates duplicate names, that would explain
your symptom.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 27 2010 - 03:30:07 PDT
