subject:"\[gmx\-users\] Help with Umbrella Sampling"

Re: [gmx-users] Help with Umbrella Sampling

2011-03-31 Thread Justin A. Lemkul

Raghuvir R S Pissurlenkar wrote: Dear Justin I removed the constrain on the DPPC molecules, however I find still LINCS errors are prominent Any alterative can I try Reduce the pull_rate. If you pull too fast, your system cannot adapt properly to the collisions that are induced by the ar

[gmx-users] Help with Umbrella Sampling

2011-03-31 Thread Raghuvir R S Pissurlenkar

Dear Justin I removed the constrain on the DPPC molecules, however I find still LINCS errors are prominent Any alterative can I try Regards - Original Message - From: To: Sent: Thursday, March 31, 2011 11:49 AM Subject: gmx-users Digest, Vol 83, Issue 217 Send gmx-users mailing