Re: [gmx-users] reg PME usage

2011-06-13 Thread Mark Abraham
On 13/06/2011 6:18 PM, vidhya sankar wrote: Dear mark, I am Typing the Literature Word, as such Although the PME is prefered way to treat Long rang electrostatic interaction it was not used Here Since the overall Charge of Solvated system Had non zero value (-12) Google a

[gmx-users] reg PME usage

2011-06-13 Thread vidhya sankar
Dear mark, I am Typing  the Literature Word, as such Although the PME is prefered way to treat Long rang electrostatic interaction  it was not used Here Since the overall Charge of Solvated system Had non zero value (-12) Also counter ion usually NA+ and CL- added to Neutralize th

Re: [gmx-users] reg PME usage

2011-06-13 Thread Mark Abraham
On 13/06/2011 4:51 PM, vidhya sankar wrote: Dear justin, Thank you for your previous reply. When i study the effect of ionic strength on stability Which Parameter of Electrostatics Should i use? . If I use usual PME Then will it interfere it with result?.

[gmx-users] reg PME usage

2011-06-12 Thread vidhya sankar
Dear justin,   Thank you for your previous reply.   When i study the effect of ionic strength on stability Which Parameter of Electrostatics Should  i use? . If I use usual PME  Then will it interfere it with  result?. Because My system has Non zero charge  I went