[gmx-users] MD in DMSO

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Wed Aug 28 13:30:59 CEST 2002


You should  replace the  line 
#include spc.itp  
in topology file by
#inculde  DMSO file 
which is in your  share/top directory

and also change the name SOL to dmso (the same name in gro file)
and add the total number.

Hope it helps.

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