VMD-L Mailing List

From: t.shivam_at_iitg.ernet.in
Date: Thu Nov 02 2017 - 10:19:17 CDT

Thank you i have sorted out the problem, actually it clicked me from your
second question, so i checked the sqm settings and molefacture was not
able to locate the sqm executable,so i located it, and it is working fine
now,
so thanks for asking those important question.

regards
shivam

> Two important questions:
> -are you using the version of ambertools that was distributed for
> molefacture?
> -is sqm in your path?

>
> Best,
> Peter
>
>
> On Thu, Nov 2, 2017 at 6:26 AM, <t.shivam_at_iitg.ernet.in> wrote:
>
>> Dear vmd users,
>>
>> i had installed ambertools 16 for geometry optimization in molefacture,
>> but recently i uninstalled vmd 1.9.3 as i was having some issues, and
>> installed 1.9.4 version, vmd is working fine, but the option for sqm
>> calculation is not active, is there anyway i can activate the option
>> without reinstalling ambertools.My os is ubuntu 16.04.
>>
>>
>