[gmx-users] ask for help

Dear, sir I'm a user of gromacs from China.I have just regist your mail list."gmx-users mailing list membership configuration for mxy1989 at mail.ustc.edu.cn, bravema". but I don't know how to use it. and I have a very important question: In your gromacs version 4.5 , Pulling is not support

Re: [gmx-users] ask for help on connection to vpn from two computers

Hi Delara, This isn't really the place for these kind of questions, is it? Why not ask the system admins of your network? Cheers, Tsjerk On Apr 18, 2011 9:11 AM, "delara aghaie" wrote: Dear gromacs users I connect via vpn to the university which I run my jobs using gromacs on its HPC system.

[gmx-users] ask for help on connection to vpn from two computers

Dear gromacs users I connect via vpn to the university which I run my jobs using gromacs on its HPC system. I have Id & password for that. now I want to know if I can connect from two computers in my lab to the vpn connection at the same time with one ID and password?   the computers are not co

Re: [gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water

Hi XAvier, Thanks for your help! I will try it now. Have a great day! Wei > > Hi Wei, > > What you need here is to increase the rdd to 1.4/1.5 nm. You can do that > using the -rdd option of mdrun. > > Turning pme on would have no effect. > > XAvier. > > On Feb 8, 2011, at 20:56, wez...@ucalgary.c

Re: [gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water

Hi Wei, What you need here is to increase the rdd to 1.4/1.5 nm. You can do that using the -rdd option of mdrun. Turning pme on would have no effect. XAvier. On Feb 8, 2011, at 20:56, wez...@ucalgary.ca wrote: > Dear All, > > I have performed a simulation of POPC with polarisable water m

[gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water

Dear All, I have performed a simulation of POPC with polarisable water model in presence of 0.2 mol CaCl2 based on MARTINI CG model. I used shift for the electrostatic interactions and the job was done on a 8-core node with domain decomposition 2 2 2. The lipid bilayer consists of 512 lipid and 16

Re: [gmx-users] ask for help

zhang wrote: > > Dear all > Thank you for browsing my question.When I run a K ion channel, I added > DOPC bilayer membrane, at the first mdrun, Gromacs program got Range checking > error: > > Explanation: During neighborsearching, we assign each particle to a grid > based on its coordinat

[gmx-users] ask for help

Dear all Thank you for browsing my question.When I run a K ion channel, I added DOPC bilayer membrane, at the first mdrun, Gromacs program got Range checking error: Explanation: During neighborsearching, we assign each particle to a grid based on its coordinates. If your system contains co