Hi Pinaki,
2014-08-16 9:27 GMT-06:00 Pinaki Swain <[email protected]>: > Hello Developers, > > I am trying to reproduce the results given in "J. Chem. Theory Comput., > 2009, 5 (12), pp 3211–3223" article. Will it be possible for you to mention > what are the input parameters used to obtain the radial distribution > function using FM CG potential. You can simple use the input files from spce/ibi for the gromacs run. And the settings.xml for csg_stat to calculate the rdf. Cheers, Christoph > > Thanks and Regards, > Pinaki > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
