Re: [gmx-users] Coulombic potential modifiers in Gromacs 4.6.4.

2013-11-26 Thread Mark Abraham
On Nov 22, 2013 5:58 PM, rajat desikan rajatdesi...@gmail.com wrote: Hi Mark, Thanks for the answer. I have a few doubts. 1) The whole potential is shifted by the value that it would otherwise have had at the cut-off. Doesn't this reduce the well-depth/epsilon for the LJ potential (same

Re: [gmx-users] Coulombic potential modifiers in Gromacs 4.6.4.

2013-11-22 Thread rajat desikan
Hi Mark, Thanks for the answer. I have a few doubts. 1) The whole potential is shifted by the value that it would otherwise have had at the cut-off. Doesn't this reduce the well-depth/epsilon for the LJ potential (same artifact as shifted LJ)? Will the long range corrections/DispCorr correct for