[gmx-users] The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Tue Mar 15 17:23:35 CET 2016


Hello, i ḿ working in a lipid bilayer using charmm36 forcefield and trying to do NVT equilibration but when i use grompp for nvt i receive the folowing error:  The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element. Increase the box size or decrease rlist. I read about this at Manual of Gromacs and decrease the rlist but the error is still there. The other solution is to increase the box size but, it is safe to do this? or what can i do? i can attach my nvt.mdp file if you wantThanks 		 	   		  


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