[gmx-users] vdw cutoff options for opls forcefield

2011-04-28 Thread Sanku M
Hi, I was wondering whether someone can comment on what vdw-cutoff scheme will be suitable when using a molecule under OPLS/AA force field . Also, providing some details about what cut-off value one should use will be really helpful. Thanks Sanku-- gmx-users mailing list

Re: [gmx-users] vdw cutoff options for opls forcefield

2011-04-28 Thread Mark Abraham
On 4/29/2011 8:28 AM, Sanku M wrote: Hi, I was wondering whether someone can comment on what vdw-cutoff scheme will be suitable when using a molecule under OPLS/AA force field . Also, providing some details about what cut-off value one should use will be really helpful. Generally, one