Re: [gmx-users] vaccume simulation

2015-08-31 Thread Justin Lemkul
On 8/31/15 7:01 AM, tasneem kausar wrote: Dear gmx-users I am trying to calculate rmsd for protein backbone. I have done simulation in vacuum. There are for negative charges in the system. During solvation via genbox, 4 water molecule were added using -maxsol. The charges have been neutralized

[gmx-users] vaccume simulation

2015-08-31 Thread tasneem kausar
Dear gmx-users I am trying to calculate rmsd for protein backbone. I have done simulation in vacuum. There are for negative charges in the system. During solvation via genbox, 4 water molecule were added using -maxsol. The charges have been neutralized by addition of 4 Na ion and water molecules