[gmx-users] PRODRG2 to OPLS for a new molecule

[ANINDITA GAYEN]

[gmx-users] Help with topology file
Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004828.html

[gmx-users] Help with topology file
Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004846.html

[gmx-users] Help with topology file
Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004845.html

[gmx-users] Help with topology file
Location: http://www.gromacs.org/pipermail/gmx-users/2003-March/004824.html


Is the above approach correct? Will it be good if the charges are calculated from Gaussian instead of 0.00?



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