[gmx-users] Re: COM removal type angular with PBC?

>1. Re: COM removal type angular with PBC? (Mark Abraham) >> Dear All, >> I'm attempting to simulate a dimeric protein in an explicit >> bilayer/water environment. I'd like to remove the translation & rotation >> of one protomer relative to the other, so that one protomer is able to >>

[gmx-users] COM removal type angular with PBC?

Dear All, I'm attempting to simulate a dimeric protein in an explicit bilayer/water environment. I'd like to remove the translation & rotation of one protomer relative to the other, so that one protomer is able to move around relative to the stationary one. I'm using semiisotropic pressure coupling

[gmx-users] distance restraint energy from g_energy

Hi, My apologies in advance, I'm aware that this is probably a stupid question... If I've run a simulation using the umbrella sampling branch of the pull code (gromacs 3.3.1), in which I restrain a small molecule to a membrane, which options must I include when running g_energy to obtain the energy

[gmx-users] DPPC bilayer

Hello - I have previously asked about a DPPC bilayer and was very helpfully answered by Justin (Many thanks!) who pointed me to the Tieleman page: http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies which was a great help, but unfortunately, the itp files are for ffgmx. I've spent

[gmx-users] Does anyone have a DPPC bilayer?

Does anyone have a DPPC bilayer (any size is fine)? or a topology/gro for DPPC (either single or bilayer) that they can let me use? Many thanks, Jen ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users