Dear users, I am trying to perform MD on a very big system consisting of 3391469 atoms. The net charge of the system is 10. So I wanted to add counterions to make the system neutral. While perfoming genion I got following error 'cannot allocate memory'. The machine where I performed genion has 1 GB of RAM. Will it be insufficient to work in a bigger system?
How to solved this problem? Your suggestions will be appreciated. ------------------------error msg.------------------------------- Select a group: 12 Selected 12: 'SOL' Number of (3-atomic) solvent molecules: 1130021 Doing single force calculation... Fatal error: realloc for nlist->jjnr (331939840 bytes, file ns.c, line 368, nlist->jjnr=0x0x186f3a20): Cannot allocate memory ---------------------------------------------------------------- with best regards, sunita _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
