[gmx-users] Reg: Simulating large number of molecules

Hi all I want to simulate more than 1000 molecules of say octane r any alkanes in gromacs. after doing a little math i find my box dimensions for the molecules. but when i use genbox to insert multiple molecules in my local system after running some time it says cannot allocate memory but when

Re: [gmx-users] Reg: Simulating large number of molecules

On 2010-12-24 11.06, vinothkumar mohanakrishnan wrote: Hi all I want to simulate more than 1000 molecules of say octane r any alkanes in gromacs. after doing a little math i find my box dimensions for the molecules. but when i use genbox to insert multiple molecules in my local system after

Re: [gmx-users] Reg: Simulating large number of molecules

On 24/12/2010 9:06 PM, vinothkumar mohanakrishnan wrote: Hi all I want to simulate more than 1000 molecules of say octane r any alkanes in gromacs. after doing a little math i find my box dimensions for the molecules. but when i use genbox to insert multiple molecules in my local system