On Mon, Jan 7, 2013 at 5:43 AM, Salma Zahir <salma.siddique10.gmail.com>wrote:
> hi, i have installed amber sucessively. but its GUI is not being supported
> by my system as some of its applications have GUI. how to get these GUI for
> various tools.
You need to install the necessary prerequisite programs for the GUIs you
want to run (xleap? xparmed.py?). If you are using one of the operating
systems listed here: http://jswails.wikidot.com/#toc6 then you can follow
those instructions (which lists the packages you need to install to run all
parts of Amber).
i am doing modeling of a ligand that i draw by myself in
> ISIS DRAW tool. when i upload the file of ligand on the amber12 it gets
> struck by giving a message" FATAL: Atom .R<MOL 874>.A<H80 39> does not
> have a type" how i can assign atom types to my ligand molecules. thanks for
> your time.
>
Use antechamber to assign atom types. See
http://ambermd.org/tutorials/basic/tutorial4b/ for details.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Jan 07 2013 - 04:00:03 PST
