[gmx-users] fix_top_for_charmm.pl problem

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Mon Jan 28 11:38:51 CET 2008

   I wanted to know the correct way to use the script fix_top_for_charmm.pl.  
  i did the following :
 fix_top_for_charmm.pl grompp -f em.mdp -c b4em.gro -o em.tpr

grompp grompp -f em.mdp -c b4em.gro -o em.tpr -maxwarn 999 2>&1 1>/dev/null
Success! .top file did not need fixing for CHARMM forcefield.

 grompp -f em.mdp -c b4em.gro -o em.tpr

it gives the followig error
ERROR 0 [file "topol.top", line 533]:
  No default Ryckaert-Bell. types

Any help will be appreciated.
thanks in advance
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