Re: [gmx-users] Regarding polymer equillibration (pressure changes)

Jeroen van Bemmelen wrote: Hi Ann, So my first question is wether this can be possible or not? or am I doing something wrong? if so, then how can i rectify the same error? I think you should definitely use 'editconf -density' to rescale your simulation box to the right density. editconf

[gmx-users] Regarding polymer equillibration (pressure changes)

Hi Ann, > So my first question is > > wether this can be possible or not? or am I doing something wrong? > if so, then how can i rectify the same error? I think you should definitely use 'editconf -density' to rescale your simulation box to the right density. editconf automatically rescales

[gmx-users] Regarding polymer equillibration (pressure changes )

Hi Gromacs crew and others I have a few questions regarding the equilibration of the system my system is linear PPG (polyprpylene glycol)polymer chain (melts in vaccum) with the following details number of monomers = 22 Total number of atoms = 3664 total number of chains = 16 My chains are aran