VMD-L Mailing List

From: Brian Radak (brian.radak_at_gmail.com)
Date: Thu Mar 29 2018 - 11:40:26 CDT

I don't think there are any tools for this integrated with VMD at present
(or at least not as part of the normal distribution). Maybe try packmol?

I have seen simulations with tetrachloroethane, but only as part of the
highly mobile membrane-mimetic (HMMM) model. Maybe someone from the
Tajkhorshid group can point to how those are built?

HTH,
BKR

On Thu, Mar 29, 2018 at 11:50 AM, Alex Saad-Falcon <alexsaadfalcon_at_gmail.com
> wrote:

> Hello all,
>
> How can I find PDB and PSF files for non-water solvents? Ideally, I want a
> range of pH values from ~6.5-8.5, but any help on where to find a solvent
> other than water would be greatly appreciated.
>
> Thanks,
>
> Alex
>