Hello all, I am trying to minimise a structure having 3 chains and each of having 90 residues. While running grompp , I got following error. Please tell me how to fix this error.
Thanking you in advance ..... creating statusfile for 1 node... checking input for internal consistency... calling /usr/bin/cpp... human_resistin_A43_mut_D43.top:11:23: error: ffG43a1.itp: No such file or directory human_resistin_A43_mut_D43.top:19:19: error: spc.itp: No such file or directory human_resistin_A43_mut_D43.top:29:20: error: ions.itp: No such file or directory cpp exit code: 256 Tried to execute: '/usr/bin/cpp -I:/home/soft/GromacSingle/share/gromacs/top:/home/soft/GromacSingle/share/gromacs/top -DFLEX_SPC human_resistin_A43_mut_D43.top > grompp6I6a2P' The '/usr/bin/cpp' command is defined in the .mdp file processing topology... Cleaning up temporary file grompp6I6a2P ------------------------------------------------------- Program grompp, VERSION 3.3.1 Source code file: topio.c, line: 388 Fatal error: Invalid order for directive moleculetype, file ""human_resistin_A43_mut_D43_A.itp"", line 10 ------------------------------------------------------- "Confirmed" (Star Trek) -- Dhananjay
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