[gmx-users] problem with Cesium
parinald at unsl.edu.ar
parinald at unsl.edu.ar
Tue Mar 9 15:05:01 CET 2004
Hello:
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?.
Thankyou
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