Re: [gmx-users] CHARMM-GUI to GROMACS

2013-10-21 Thread Zhi Yue
Hi Justin, Thanks for your advice. I'll try again. Have a wonderful night! Best Shane On Mon, Oct 21, 2013 at 6:51 PM, Justin Lemkul wrote: > > > On 10/21/13 11:14 AM, Zhi Yue wrote: > >> Dear all, >> >> I built up my protein in lipid bilayer by CHARMM-GUI and now I want to do >> equilibrat

Re: [gmx-users] CHARMM-GUI to GROMACS

2013-10-21 Thread Justin Lemkul
On 10/21/13 11:14 AM, Zhi Yue wrote: Dear all, I built up my protein in lipid bilayer by CHARMM-GUI and now I want to do equilibration by GROMACS. I know GROMACS can build the system, but my subsequent production run must be conducted by CHARMM. I want to use GROMACS to do equilibration cuz it

Re: [gmx-users] CHARMM GUI to Gromacs

2011-10-17 Thread bipin singh
There is already tutorial for creating lipid bilayer and insertion of protein into that for GROMACS http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html Why you have used Charmmgui I am not able to understand. You can get some useful topologies from bel