[gmx-users] sw water problem

Rongliang Wu wurl04 at iccas.ac.cn
Fri Jan 13 07:33:51 CET 2006

Hello gmx-users,
              i used grompp intending to minimize the SW water i made, but i get error like:
Fatal error:
Found a second defaults directive, file "/home/wurl/gromacs/share/gromacs/top/sw.itp", line 36

              i looked in sw.itp file but line 36 is:
[ defaults ]
LJ	Geometric 

              do i have to remove "geometric"?



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

More information about the gromacs.org_gmx-users mailing list