Thanks Christoph for clarifications. Chandan
-- Chandan kumar Choudhury NCL, Pune INDIA On Tue, Mar 19, 2013 at 8:21 PM, Christoph Junghans <[email protected]>wrote: > 2013/3/19 Chandan Choudhury <[email protected]>: > > Dear votca users, > > > > I am trying to use pressure correction for the system with 5 different > > beads. > > > > Do I need to add the pressure tag for each non-bonded interactions. Is > there > > a way by which I can define it for all the interaction property. > Yes, you will have to do it 10 times. You could change the > csg_defaults.xml file if it really annoys you, but that is not > recommended. > > We didn't put it into one global block due to the fact that one would > actually fit to the partial pressure generated by each interaction. > However nobody was brave enough to implement this calculation into > Gromacs and hence you will have to regulate the contributions to the > pressure by the interaction's correction pre-factors. > > > > > Chandan > > > > -- > > Chandan kumar Choudhury > > NCL, Pune > > INDIA > > > > -- > > 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?hl=en. > > For more options, visit https://groups.google.com/groups/opt_out. > > > > > > > > -- > 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?hl=en. > For more options, visit https://groups.google.com/groups/opt_out. > > > -- 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?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
