[gmx-users] Is an anybody using GROMACS utility "ffscan"?

alexander yakovenko yakovenko_a at ukr.net
Wed Sep 18 12:34:25 CEST 2002


Hi ALL
Is an anybody using GROMACS utility "ffscan" to calculate single point energy of protein-ligand complex in water? Would you please explain me what is file "param.dat" and how to generate it?

Thanks
With best regards,

Alexander Yakovenko
_______________________________________________
Institute of Molecular Biology & Genetic of NAS of Ukraine
03143
acad.Zabolotnogo str. 150
Kiev
Ukraine
______________________________________________
E-mail: yakovenko_a at ukr.net





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