[CPMD-list] solvents

Michal Roztoczynski michal.roztoczynski at pwr.wroc.pl
Thu Dec 6 23:36:18 UTC 2007


hello everybody,

does anybody know:

1)wheter there is any continous solvent model in cpmd (e.g. pcm)
2)where i could find an example how to put my structure into a box of solvent using MM
3)and finally where i can find force filelds of which solvents there are default in cpmd??

kind regards

micheal



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