VMD-L Mailing List

From: Armando Jerome de Jesus (ajdejesus_at_gmail.com)
Date: Tue Nov 27 2018 - 14:52:08 CST

Hi João

Thank you very much for your reply! I appreciate it.

Best regards,
Armando

On Wed, Nov 28, 2018 at 1:27 AM João Ribeiro <jribeiro_at_ks.uiuc.edu> wrote:

> Hi Armando,
>
> QwikMD prepares simulations for NAMD, and unless something escaped me,
> there is no proper way to do this in NAMD.
>
> Please take a look at the discussion on the namd-l
> https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2013-2014/2355.html
> and
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2013-2014/3318.html
> .
>
> I would say that you might want to check CHARMM package (and CHARMM-GUI to
> prepare the files) to simulate what you want.
>
> Best
>
> João
>
>
> On Tue, Nov 27, 2018 at 9:38 AM Armando Jerome de Jesus <
> ajdejesus_at_gmail.com> wrote:
>
>> Hi,
>>
>> I am not quite sure if this would be the correct forum to post my query.
>> My apologies if I have posted incorrectly.
>>
>> My query is regarding QwikMD. I was wondering if there is a facility in
>> QwikMD to simulate using an implicit solvent/membrane? I have tried
>> looking for a way to do this in QwikMD but so far, I haven't seen any from
>> my searches.
>>
>> Thank you very much!
>>
>
>
> --
> ……………………………………………………...
> João Vieira Ribeiro
> Theoretical and Computational Biophysics Group
> Beckman Institute, University of Illinois
> http://www.ks.uiuc.edu/~jribeiro/
> jribeiro_at_ks.uiuc.edu
> +1 (217) 3005851
>