Re: [gmx-users] Thought you'd find this interesting

ve to filter for spam. > > Of course that's only my opinion. > > Cheers, > Oliver > > > > On 06/24/2013 06:55 AM, Anil Mhashal wrote: > >> >> Hi Discussion, >> >> >> I’ve just learned about the water crisis and thought you would be &

[gmx-users] Thought you'd find this interesting

Hi Discussion, I’ve just learned about the water crisis and thought you would be interested to check out this story: https://waterforward.charitywater.org/et/3ZYWubNN Thanks, Anil -- Sent via WaterForward, an initiative of charity: water WaterForward, 387 Tehama Street, San Francisco, CA

[gmx-users] About the charge

Dear friends, please tell me, what are the possible reasons for the system total charge in not zero and the need to neutralise it in MD simulation of the proteins. -- Anil R.Mhashal Research fellow Physical Chemistry Division National Chemical Laboratory Pune -- gmx-users mailing listgmx-us

Re: [gmx-users] Reg:Equilibration

Yeah... A equilibration can be complish within the ps n we have to make ensure that the there should not be more fluctuation in the potential energy in other words it should be stabilize. On 5 October 2010 17:47, Justin A. Lemkul wrote: > > > Anil Mhashal wrote: > >> Just p

Re: [gmx-users] Reg:Equilibration

i get the potential energy at the end of the mdrun. if i want to calulate > the deviation with what i should compare and calculate the deviation.can you > be more specific. > > Regards > Vinoth > > > On Tue, Oct 5, 2010 at 4:51 PM, Anil Mhashal wrote: > >> To check ur

Re: [gmx-users] Reg:Equilibration

To check ur equilibration, just look at the potential energy and find out the deviation in the energy if the deviation in the energy is within 10% then ur equilibration is successful... On 5 October 2010 14:56, vinothkumar mohanakrishnan wrote: > Hi all > > Suppose say i have a box of decane mol