[gmx-users] what are the options for implicit solvent in Gromacs?

Jagannath Mondal jmondal at chem.wisc.edu
Fri Apr 13 00:04:08 CEST 2007


Hi,
      I am trying to learn how to use implicit solvent model for PMF  
calculation. For that ,I wanted to know what are the options for  
implicit solvent present in gromacs. But I could not find any  
documentation regarding that. I searched  mailing list and found that  
there has been some query on the documentation but I could not find  
any suitable reply. In one of the reply, David suggested using  
following command:
     touch grompp
         grompp
    But it does not show all the available option for implicit  
solvent model  gromacs has got. it shows   implicit solvent= no.
     There were some older mail (before 2006) where it  was said that  
gromacs has not gor implicit solvent model. But I hope that latest  
version has got implicit solvent model. Can anyone suggest any  
documentation where I can find the availble options for implicit  
solvent model as well as the other options for Generalized Born model?
    Thanks in advance,,
      Yours sincerely,
       Jagannath Mondal



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