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 the same command i gave it in a Linux cluster interactively (HPCE) it goes well and fills the box with required number of molecules and i get the correct density. but even then there are limitations such as i can't go beyond 1500 molecules with required box dimensions. So how one can about simulating more than 1000 molecules of alkanes r any molecules for that matter? I know that this problem doesn.t occur for water. any help is highly appreciated.
Regards Vinoth
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