Re: [gmx-users] gmx enenrgy

2018-01-18 Thread kordzadeh
Hello Dr.Lemkul Thank you very much for your answer I try to do it. Regards Azadeh -- This email was Anti Virus checked by Security Gateway. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't p

Re: [gmx-users] gmx enenrgy

2018-01-18 Thread Justin Lemkul
On 1/18/18 12:38 AM, kordza...@aut.ac.ir wrote: Hi all when we use "gmx energy" what is the difference between LJ-(SR), LJ-14, Coulomb-14, Coulomb(SR)? those mentioned energies, give us energy interaction of total system. right? Not necessarily, because there may be long-range terms from P

[gmx-users] gmx enenrgy

2018-01-17 Thread kordzadeh
Hi all when we use "gmx energy" what is the difference between LJ-(SR), LJ-14, Coulomb-14, Coulomb(SR)? those mentioned energies, give us energy interaction of total system. right? if I want to determine interaction enenrgy for example, LJ, between two special species, not in total system, wha