some advise?
Best,
Xianchi
On Fri, Oct 28, 2016 at 3:17 PM, Justin Lemkul <jalem...@vt.edu> wrote:
>
>
> On 10/28/16 2:48 PM, Xianchi Dong wrote:
>
>> Thanks for your reply.
>> Do I need to copy the ff file to any folder?
>>
>>
> Either the working dir
Thanks for your reply.
Do I need to copy the ff file to any folder?
Best,
Xianchi
> On Oct 28, 2016, at 1:56 PM, Justin Lemkul <jalem...@vt.edu> wrote:
>
>
>
>> On 10/28/16 1:39 PM, Xianchi Dong wrote:
>> Dear all,
>> Does anyone have a detailed protocol to
Dear all,
Does anyone have a detailed protocol to install Drude polarized force field on
Gromacs?
Best,
Xianchi
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Hi all,
Does anyone know how to install qmmm code like mopac to gmx5.1?
Best,
Xianchi
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* For
t;
> Follow the instructions at http://wwwuser.gwdg.de/~ggroenh/qmmm.html
>
> You will also need to set the following variable at install time:
>
> -DGMX_QMMM_MOPAC=ON
>
> --
> Clinton King
> Graduate Student
> Chemistry Department
> Brigham Young University
>
>
ailed doesn't give
> people much insight into how to assist you.
>
> There are a myriad of possibilities, but without an actual error message to
> go off, we're all in the dark here.
>
> Regards,
>
> Andrew
>
> On Mon, Oct 17, 2016 at 11:20 AM, Xianchi Dong <dongxian.
Dear GMX users,
I am wondering where I can find the polarization parameter for Ca2+ and/or
Mg2+ for Gromacs?
Best,
Xianchi
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