[gmx-users] Problems getting Nitrate oplsaa parameters

Wahab Mirco Mirco.Wahab at chemie.tu-freiberg.de
Tue Sep 11 21:04:20 CEST 2018


On 11.09.2018 18:59, Wahab Mirco wrote:
> On 11.09.2018 17:15, Carlos Navarro wrote:
>> I remember that a few years ago, a software was available (link ->
>> http://frolov-pchem.wikispaces.com/Downloads ) that was able to convert
>> .cms parameters (from maestro/desmond to gromacs), but know the link is not
>> available anymore.
> 
> But it's still archived:
> https://web.archive.org/web/20171020235221/http://frolov-pchem.wikispaces.com/Downloads

If that doesn't work, you possibly can contact the author (Frolov)
through his E-Mail address shown here:
https://pubs.acs.org/doi/10.1021/jp505731z
or through his Research-gate account:
https://www.researchgate.net/profile/Andrey_Frolov4

M.





More information about the gromacs.org_gmx-users mailing list