Re: [gmx-users] protein and DMPC in Charmm36 ff

2012-04-16 Thread Krzysztof Kuczera
An easy way to build a protein in a bilayer is through the charmm-gui website www.charmm-gui.org/ Partial drawbacks are that you need CHARMM to perform final equilibration and then may need to rename some atoms to work with GROMACS On plus side is that charmm36.ff retains the original CHARMM

[gmx-users] protein and DMPC in Charmm36 ff

2012-04-15 Thread Tomek Wlodarski
Hi, I would like to simulate protein in DMPC bilayer in Charmm36 ff. I checked mailing list and KALP-15 tutorial, but still I have a few basic questions. 1) I have problem with DMPC bilayer... - VMD membrane builder only provides POPE and POPC lipids... - on the Peter Tieleman page there is a

Re: [gmx-users] protein and DMPC in Charmm36 ff

2012-04-15 Thread Justin A. Lemkul
Tomek Wlodarski wrote: Hi, I would like to simulate protein in DMPC bilayer in Charmm36 ff. I checked mailing list and KALP-15 tutorial, but still I have a few basic questions. 1) I have problem with DMPC bilayer... - VMD membrane builder only provides POPE and POPC lipids... - on the