[gmx-users] dielectric constant 4

[Justin Lemkul]

On 8/17/17 8:57 AM, Mohammad Zahidul Hossain Khan wrote:
> I want to calculate binding energy using mmpbsa method where I want to use
> protein dielectric constant 4 in the case of mm energy.
> 

MM/PBSA is a post-processing method. You shouldn't be trying to mess with the 
dielectric of the system (or any part of it) during the MD via .mdp options.

-Justin

> On Aug 17, 2017 2:07 AM, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:
> 
>> Hi,
>>
>> That doesn't sound like a thing you should want to do. What's the
>> scientific objective?
>>
>> Mark
>>
>> On Thu, Aug 17, 2017 at 1:14 AM Mohammad Zahidul Hossain Khan <
>> za.parash at gmail.com> wrote:
>>
>>> Dear User
>>>
>>> Dose anyone know how can I use dielectric constant 4 in mdp for protein
>>> during the simulation?
>>>
>>> --
>>>
>>>
>>> *Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
>>> *Email: khan5121 at vandals.uidaho.edu <khan5121 at vandals.uidaho.edu>*
>>> * Skype: parash.khan2*
>>> *Cell: +12085967165 <+1%20208-596-7165>*
>>> --
>>> Gromacs Users mailing list
>>>
>>> * Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>>> posting!
>>>
>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>>> * For (un)subscribe requests visit
>>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>>> send a mail to gmx-users-request at gromacs.org.
>>>
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/
>> Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

==================================================