[gmx-users] potential oxiredution

Hi!!  I have a question for you... Some way to calculate the oxiredution potential (ORP) using the Gromacs package?   Elias ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscri

Re: [gmx-users] potential oxiredution

Elias santos wrote: Some way to calculate the oxiredution potential (ORP) using the Gromacs package? No, since you can't simulate a system with MD that's large enough that such a bulk observable would be at all meaningful - and even then you'd get out the answer you put in by choosing the so