Hi everybody After using genconf to build a .gro file for example containing 100000 molecules, I want to use grompp to minimize the system as the following: genconf -f H.gro -nbox 10 100 100 -o H-largebox.gro grompp -f minim.mdp -c H-largebox.gro -p topol.top -o HMin.tpr -maxwarn 1
Although I see in the H-largebox.gro file 100000 molecules coordination, I receive the following error after running grompp. ------------------------------------------------------- Program grompp, VERSION 4.5.4 Source code file: grompp.c, line: 1370 Fatal error: There was 1 error in input file(s) For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- "Just a Minute While I Reinvent Myself" (Red Hot Chili Peppers) Would you please help me? Thanks alot, Best Regards, Saly
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