Re: [gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-05 Thread Justin Lemkul
On 6/4/13 10:13 PM, vidhya sankar wrote: Dear Justin thank you for your previous reply How can i check using th value 1.4 is harmless to My system Through g_energy ouput (potential.xvg) can i check (graphically) This is a topic that is a bit too hard to deal with via e

[gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-04 Thread vidhya sankar
Dear Justin thank you for your previous reply                     How can i check using th value 1.4 is harmless to My system Through g_energy ouput (potential.xvg) can i check (graphically) Thnaks In Advance -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/list

Re: [gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-04 Thread Justin Lemkul
On 6/4/13 9:48 PM, vidhya sankar wrote: Dear Justin Thank you for your Previous reply. As yo mailed me The Defaut Value for vandewalls and Electrostatics in GROMOS96 53A6 is PME option s_type = grid

[gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-04 Thread vidhya sankar
Dear Justin  Thank you for your Previous reply.                                                                              As yo mailed me  The Defaut      Value for vandewalls and Electrostatics  in GROMOS96 53A6  is  PME option s_type    = grid  nstlist    = 5  rlist      = 0.9  rcoulomb 

Re: [gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-04 Thread Justin Lemkul
On 6/4/13 11:25 AM, vidhya sankar wrote: Dear Justin Thank you for yoyr Previuos reply I am using Gromos96 53a6 so i am using the following parameters ns_type = grid nstlist = 5 rlist = 0.9 rcoulomb= 0.9 rvdw

[gmx-users] About coulmb & Vanderrwalls cutoff

2013-06-04 Thread vidhya sankar
Dear Justin Thank you for yoyr Previuos reply     I am using  Gromos96 53a6  so i am using  the following parameters ns_type = grid   nstlist = 5   rlist   = 0.9 rcoulomb    = 0.9