VMD-L Mailing List

From: Peter Freddolino (petefred_at_umich.edu)
Date: Thu Dec 08 2016 - 16:31:52 CST

To follow up on that — please see the “Autotyping and geometry optimization” heading of the documentation at http://www.ks.uiuc.edu/Research/vmd/plugins/molefacture/
Best,
Peter

> On Dec 8, 2016, at 2:26 PM, Fotis Baltoumas <fbaltoumas_at_biol.uoa.gr> wrote:
>
> Hello,
>
> That particular functionality requires the installation of the AmberTools suite of programs, which includes SQM. AmberTools is offered free of charge through http://ambermd.org.
>
> F.B.
>
> On 12/08/2016 06:43 PM, M.H. Taheri wrote:
>> Dear VMD users
>> I have installed the last version of VMD and I'm trying to use the molefacture tutorial. But the "optimize geometry with SQM " is always deactivated and I can't use it. Is any wrong with my installation procedure or i'm doing something else wrong?
>> I searched the internet and the mailing list but I couldn't find any thing helpful.
>> I will be appreciated for your answers...
>>
>
> --
> *******************************************
> Fotis A. Baltoumas
> Phd Candidate, Bioinformatics Postgraduate Programme
> Department of Cell Biology and Biophysics
> Faculty of Biology, University of Athens
> Panepistimiopolis, Athens 157 01, GREECE
> --------------------------------------
>
> email :
> fbaltoumas_at_biol.uoa.gr
> http://biophysics.biol.uoa.gr
> http://bioinformatics.biol.uoa.gr
>
> *******************************************
>