[gmx-users] Warnings related to Berendsen pressure coupling and use the refcoord_scaling option

2012-06-07 Thread PAVAN PAYGHAN
Dear Gromacs Users, I am using gromacs version 4.5.5.and running my jobs on single node with 8 cores. My system contains about 425000 atoms (protein + Lipid +SOL). I have successfully reached up to Energy minimization step.As per the suggestion by Dear Mark, I am starting my NPT equilibration

Re: [gmx-users] Warnings related to Berendsen pressure coupling and use the refcoord_scaling option

2012-06-07 Thread Mark Abraham
On 7/06/2012 8:33 PM, PAVAN PAYGHAN wrote: Dear Gromacs Users, I am using gromacs version 4.5.5.and running my jobs on single node with 8 cores. My system contains about 425000 atoms (protein + Lipid +SOL). I have successfully reached up to Energy minimization step.As per the suggestion