Re: [gmx-users] how small rcoulomb can be

rom: Gaurav Goel >> Date: Thursday, June 17, 2010 5:21 >> Subject: [gmx-users] how small rcoulomb can be >> To: Discussion list for GROMACS users >> >>> For my NPT/NVT simulations I'm using a BKS potential for dispersion >>> interactions (VdWtype=US

Re: [gmx-users] how small rcoulomb can be

I will re-ask my question as it didn't come out right in previous mail. Read below. On Wed, Jun 16, 2010 at 6:11 PM, Mark Abraham wrote: > > > - Original Message - > From: Gaurav Goel > Date: Thursday, June 17, 2010 5:21 > Subject: [gmx-users] how small rcoulomb

Re: [gmx-users] how small rcoulomb can be

Thanks for your reply Mark. On Wed, Jun 16, 2010 at 6:11 PM, Mark Abraham wrote: > > > - Original Message - > From: Gaurav Goel > Date: Thursday, June 17, 2010 5:21 > Subject: [gmx-users] how small rcoulomb can be > To: Discussion list for GROMACS users > >&

Re: [gmx-users] how small rcoulomb can be

- Original Message - From: Gaurav Goel Date: Thursday, June 17, 2010 5:21 Subject: [gmx-users] how small rcoulomb can be To: Discussion list for GROMACS users > For my NPT/NVT simulations I'm using a BKS potential for dispersion > interactions (VdWtype=USER) which has a

[gmx-users] how small rcoulomb can be

For my NPT/NVT simulations I'm using a BKS potential for dispersion interactions (VdWtype=USER) which has a cut-off of 0.55 nm. I also set rcoulomb=rlist=0.55 nm. My first question is regarding the choice of rcoulomb=0.55nm. Any thoughts on whether this rcoulomb is large enough to ascertain that