[gmx-users] Need Help on Simulated annealing (Implicit Solvation)

Hi I have tried to write a grompp.mdp file for simulated annealing of a peptide (~30 aa) in implicit solvent. Please someone could tell me if the parameters set are fine for the same. - ; Preprocessing define = -DFLE

[gmx-users] Help with Umbrella Sampling

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

[gmx-users] Re: gmx-users Digest, Vol 83, Issue 217

Thanks Justin - Original Message - From: To: Sent: Thursday, March 31, 2011 11:49 AM Subject: gmx-users Digest, Vol 83, Issue 217 Send gmx-users mailing list submissions to gmx-users@gromacs.org To subscribe or unsubscribe via the World Wide Web, visit http://lists.gromacs.org/mai