[gmx-users] PRODRG2 to OPLS for a New Molecule

ANINDITA GAYEN aninditagayen at yahoo.co.in
Mon Jun 16 17:58:09 CEST 2008


[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004828.html
    Score: 1000, Size: 4739 Bytes,

[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004845.html
    Score: 993, Size: 3578 Bytes,

[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004846.html
    Score: 993, Size: 5137 Bytes,

[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004844.html
    Score: 973, Size: 3437 Bytes,

[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004824.html
    Score: 967, Size: 3048 Bytes,

[gmx-users] Help with topology file
    Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004843.html
 
Is the above approach correct? Can i have the charges from Gaussian?




      Meet people who discuss and share your passions. Go to http://in.promos.yahoo.com/groups/bestofyahoo/




More information about the gromacs.org_gmx-users mailing list