[gmx-users] query about coul-SR
mukherjee.saumyak50 at gmail.com
Thu Feb 22 21:35:44 CET 2018
Thanks for your reply Alex.
On 23 February 2018 at 02:01, Alex <nedomacho at gmail.com> wrote:
> No, this is the particle-particle cutoff portion in the particle-particle
> + particle-mesh scheme. Unless the size of your entire protein is smaller
> than rcoulomb.
> On 2/22/2018 1:07 PM, Saumyak Mukherjee wrote:
>> Dear Users,
>> In the output of gmx energy, coul-SR means short range Coulomb
>> interactions. So if I have coul-SR for a protein, does it give the total
>> self-interaction energy (Coulomb) of the protein?
>> Any help is much appreciated.
>> Thanks & regards,
>> *Saumyak Mukherjee*
>> Senior Research Fellow,
>> Prof. Biman Bagchi's Lab,
>> Solid State and Structural Chemistry Unit,
>> Indian Institute of Science,
>> Bangalore - 560012,
>> Karnataka, India.
> 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.
Thanks & regards,
Senior Research Fellow,
Prof. Biman Bagchi's Lab,
Solid State and Structural Chemistry Unit,
Indian Institute of Science,
Bangalore - 560012,
More information about the gromacs.org_gmx-users