Dear Gromacs users When I run Energy minimisation using the command,
grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr, I received the following error message. ********************************************************** processing coordinates... double-checking input for internal consistency... 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. ------------------------------------------------------- Program grompp, VERSION 3.3.2 Source code file: grompp.c, line: 1111 Fatal error: There were 1 error(s) processing your input ------------------------------------------------------- ******************************************************************* MY BOX DIMENSION IS 20.1 * 20.1 * 20.1 I CHANGED THE RLIST, FOR A LOWER VALUE: STILL THE MESSAGE IS SAME. Note: I copied the .mdp file form the gromacs users list ( DECMEBER 2001) regards, Jestin Mandumpal
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