subject:"\[gmx\-users\] membrane protein simulation \- errors"

Re: [gmx-users] membrane protein simulation - errors

2014-09-18 Thread Justin Lemkul

On 9/17/14 6:54 PM, Yunlong Liu wrote: Hi, I am trying to use Gromacs 5.0 to run membrane protein simulation. I built my membrane protein system with POPC membrane and TIP3P water in VMD. Then I used gmx pdb2gmx to build gromacs topology files. My force field is charmm22* and it contains

[gmx-users] membrane protein simulation - errors

2014-09-17 Thread Yunlong Liu

Hi, I am trying to use Gromacs 5.0 to run membrane protein simulation. I built my membrane protein system with POPC membrane and TIP3P water in VMD. Then I used gmx pdb2gmx to build gromacs topology files. My force field is charmm22* and it contains a lipids.rtp entry. It can successfully re