[gmx-users] g_sorient with tip4p

Kay Gottschalk kay.gottschalk at weizmann.ac.il
Sun Jul 13 14:54:01 CEST 2003


Hi there,

did anyone try to use g_sorient with tip4p? It complains that the 
solvent has more than 3 atoms. One could try to convert the trajectory 
to let's say gro format and 'manually' remove all the dummy atoms, but 
perhaps there is a better way. Any ideas?
Thanks,
Kay.




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