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