[gmx-users] about *.itp files

parinald at unsl.edu.ar parinald at unsl.edu.ar
Fri Sep 12 18:08:00 CEST 2003


The cuestion is simple: 
                       I try to simulate Cl- and  Na+  separatly in water, 
my "clna.itp" is:
 
   [moleculetype]
   ;Name       nrexcl
   Protein        3
   [atoms]
     1    IP   1 Na+  Na+  1   22.9900     1.0000
     2    IM   2 Cl-  Cl-  2   35.4500    -1.0000
   [bonds]
   [pairs]
   [angles]
   [dihedrals]

I don`t know how to use this!




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