Re: [gmx-users] g_dipoles questions

Semen Esilevsky wrote: Dear David, Thank you for reply! However there are still some question: Dear All, I have few questions about g_dipoles, which are not explained in the manual: 1) What method is used to calculate the epsilon? Is there a reference which can be cited? Is it suitable for w

Re: [gmx-users] g_dipoles questions

Dear David, Thank you for reply! However there are still some question: >> Dear All, >> I have few questions about g_dipoles, which are not explained in the manual: >> 1) What method is used to calculate the epsilon? Is there a reference which >> can be cited? Is it suitable for water solutions

Re: [gmx-users] g_dipoles questions

Semen Esilevsky wrote: Dear All, I have few questions about g_dipoles, which are not explained in the manual: 1) What method is used to calculate the epsilon? Is there a reference which can be cited? Is it suitable for water solutions? In principle it is suitable for solutions of neutral molecul

[gmx-users] g_dipoles questions

Dear All, I have few questions about g_dipoles, which are not explained in the manual: 1) What method is used to calculate the epsilon? Is there a reference which can be cited? Is it suitable for water solutions? 2) I can't figure out the purpose of the option -enx. When I supply edr file with th

[gmx-users] g_dipoles questions

Dear All, I have few questions about g_dipoles, which are not explained in the manual (these questions are probably mostly to developers): 1) What method is used to calculate the epsilon? Is there a reference which can be cited? 2) I can't figure out the purpose of the option -enx. When I supply