[gmx-users] problem with Cesium

parinald at unsl.edu.ar parinald at unsl.edu.ar
Tue Mar 9 15:05:01 CET 2004

      I define CS and CS+ in  .atp;
               CS+ in aminoacids.dat;
               [CS+] in  .rtp;
               CS+ in tc-grps and energygrps (.mdp);
 When I run grompp appears:

processing topology...
Generated 135 of the 1081 non-bonded parameter combinations
Cleaning up temporary file gromppF5JhmP
Fatal error: Atomtype 'CS+' not found!

I forguet something?.

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