Re: [gmx-users] reg electrostatics

2011-07-13 Thread Justin A. Lemkul
vidhya sankar wrote: Dear justin Thank you for previous patient reply To study the salt effect (ionc strength) on H-bonding of protein Which option of Electrstatics is best either PME or Cut-off ? Because when i read one recent articles They used Cut-off option I T

[gmx-users] reg electrostatics

2011-07-13 Thread vidhya sankar
Dear justin Thank you for previous patient reply      To study the salt effect  (ionc strength) on H-bonding of protein Which option of Electrstatics is best either PME or Cut-off ? Because when i read one recent  articles They used Cut-off option I Think PME is recent option

[gmx-users] reg electrostatics interaction

2011-06-13 Thread vidhya sankar
Dear sir, Since the overall charge of my system is nonzero can i treat non bonded Reaction using Set of  cutoff distances -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Suppor