Re: [gmx-users] Problem while running equilibration

2020-01-17 Thread Alessandra Villa
Hi, see some comments/suggestions below. Best regards Alessandra On Fri, Jan 17, 2020 at 8:34 AM Nirali Desai wrote: > Dear all, > > My system consists of a three chains of protein: PROA, PROB and PROCLIG > (with ligand). > Minimization is running properly without any error. > Parameters used ar

[gmx-users] Problem while running equilibration

2020-01-16 Thread Nirali Desai
Dear all, My system consists of a three chains of protein: PROA, PROB and PROCLIG (with ligand). Minimization is running properly without any error. Parameters used are: title = Minimization ; Title of run define = -DPOSRES ; Parameters describing what to do, when to stop and what to sav