[gmx-users] Tip5p

sridhar maddipati mvvssridhar at yahoo.co.uk
Thu Mar 17 23:49:31 CET 2005

Hi :

 I am relatively new to GROMACS and I am trying to
reproduce the results reported by Jorgensens group for
the TIP5P water. (J chem Phys 112, 20). I was able to
reproduce them qualitatively but not exactly. { esp. E
differs by almost   1.6 kCal/Mol  --- reported 9.87
while I am getting 8.27 }

 I have seen from the mails that some have reproduced
the results exactly, If so can anyone send me the
exact parameters in .mdp and also .gro files ? 

Thanks a Lot,

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