Dear I have a box with 2 different kind of solution and one protein. Actually, I minized my box in each step which i add matter to box. After minimization of my system I run it for 10 ns. unfortunately after 1.3 ns one of my solution dissapear. eg, I have hexan organic solvent, water and protein, after this time the hexan dissapear. everything is ok. log file enrgy file and .. are ok . I repeated my run for 3 times but in each time after 1.3 ns my hexan dissapear. Please guid me what could be the problem. I attache my grompp file also.
thank you very much for your help Yours, Morteza
grompp.mdp
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