VMD-L Mailing List

From: Stefan Boresch (stefan_at_mdy.univie.ac.at)
Date: Wed Mar 27 2019 - 03:01:06 CDT

Hi James,

[cc-ing this to the VMD list]

I am afraid I can't help you, as (1) I use VMD for visualization only, and
(2) use Linux as my main platform.

My recent question about VMD/Windows on the list was concerned with
getting a VMD version on students' laptops, which can download coordinates
directly from the pdb.

Ashar Malik's workaround for that
(http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/28754.html)
is a good fix for regular users, but I was afraid that it would not help
novices too much.

Hopefully some real Windows/VMD user can help you out!

Stefan

On Wed, Mar 27, 2019 at 02:13:04AM +0000, James T. Metz wrote:
> Stefan,
>     Hello.  I am attempting to get VMD 1.9.3 running properly on a WINDOWS 7 64-bit laptopcomputer.  I am interested in being able to perform various calculations of small moleculesand proteins to obtain interaction energies and ultimately free energies.  I am havingsome problems.  I found your name on the VMD mailing list associated with WINDOWS,so I am assuming that you are using VMD on a WINDOWS computer.
>     Do you have possibly versions of sqm and antechamber from AMBER Tools that have
> been properly compiled for VMD for WINDOWS 7 64-bit?  I have obtained the latest version of AMBER Tools, I installed Cygwin, and I have tried several times to get everything compiled properly, but I am getting many error messages and I am not an expert at getting programs compiled properly!  I am specifically interested inthese two programs at present, as they seem to be associated with the molefactureextension that seems to be necessary for parameterizing small molecules.
>     On the other hand, if you know of some way to obtain proper parameter files
> for small molecules for VMD without using molefacture, I would be interested to learn your workflow.
>     I would appreciate hearing from you, or if you have code that you can share, I would be most grateful.  Thank you.
>     Regards,     Jim Metz  
> James T. Metz, Ph.D.
> President, Metz Research LLC422 Cross RoadGurnee, IL  60031(847) 263 - 1514Please leave a message if you want a return call.JamesTMetz_at_AOL.comwww.metzresearch.comwww.linkedin.com/in/james-t-metz-phd-6117b3131
>