Thanks a lot Christoph. I could reproduce the force matching rdf after following your instruction. I think we need to convert the CG potential from FM to table_CG_CG.xvg and other options are same as in case of single iteration run for IBI/IMC. Many thanks for the help. Best Regards, Pinaki On Sunday, August 17, 2014 10:20:41 PM UTC+5:30, Christoph Junghans wrote: > > Hi Pinaki, > > > 2014-08-16 9:27 GMT-06:00 Pinaki Swain <[email protected] <javascript:>>: > > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > 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 >
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