Hi everybody I want to build a simulation box fill of water and some SDS molecules. To do this at first I fill the box with SDS molecules without their Na+ ions. Then I filled the simulation box with water molecules. After that, I want to replace some water molecules with Na+ ions. I ran the following commands:
genbox -ci SDS.pdb -nmol 10 -box 2 2 1.9 -p topol.top -o SDS-box.gro genbox -cp SDS-box.gro -cs spc216.gro -p topol.top -o SDSWater.gro grompp -f ions.mdp -c SDSWater.gro -p topol.top -o ions.tpr But to run the last command I receive the following error: 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 ------------------------------------------------------- "I managed to get two hours of work done before work" (E. Lindahl) Would you please help me, Thanks Saly
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