[gmx-users] Re: gmx-users Digest, Vol 39, Issue 56

-- Message: 5 Date: Mon, 16 Jul 2007 16:39:29 +0200 From: "Jeroen van Bemmelen" < [EMAIL PROTECTED]> Subject: [gmx-users] Regarding polymer equillibration (pressure changes) To: gmx-users@gromacs.org Message-ID: < [EMAIL PROTECTED]> Content-Type: text/plain; c

[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

[gmx-users] trajconv

Hi all I am new to Gromacs: I am simulating pure polymer (22 monomers and 16 linear chains) in vaccum and i have a few questions regarding the trjconv command. I run a NPT simulation for 500 picosecond and when i see the output (.gro) file in vmd i found some holes my simulation box. I mean 2 or

[gmx-users] Hi all

Hi I am new to Gromacs. I would like to simulate oligoether branched polysiloxanes in gromacs. I have the force field availble for the same Whether gromacs will support force filed for polymers containing hetreo atmos like silicon? If so how can I incoroprate this into gromacs? and also How to ge