[gmx-users] Calculate potential as function of time

Hi Friends, How to get a "graph of potential as function of time" ?? Currently I am using gmx potential script to generate potential.xvg but it is showing potential as function of boxlength. reg Rituraj -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/

Re: [gmx-users] Calculate potential as function of time

Hi, why don't you use gmx energy? GROMACS online documents said: "gmx potential computes the electrostatical potential across the box" On Mon, Jan 21, 2019 at 7:53 AM Rituraj Purohit wrote: > Hi Friends, > How to get a "graph of potential as function of time" ?? Currently I am > using gmx poten

Re: [gmx-users] Calculate potential as function of time

Good evening sir, Did you use this command? g_energy -f em.edr -o em.xvg When should I meet you sir, tomorrow? With regards, *Indu Kumari* On Mon, Jan 21, 2019 at 12:23 PM Rituraj Purohit wrote: > Hi Friends, > How to get a "graph of potential as function of time" ?? Currently I am > using

Re: [gmx-users] Calculate potential as function of time

The total potential energy of the system is printed when you use g_energy (in your version) See Justin tutorial for example: http://www.mdtutorials.com/gmx/lysozyme/05_EM.html Best, On Mon, Jan 21, 2019 at 3:28 PM Indu Kumari wrote: > Good evening sir, > > Did you use this command? > > g_energy