Thank you :) csg_resample with --derivative option and --grid as an input provide derivatives as well.
W dniu czwartek, 22 sierpnia 2013 09:23:24 UTC+1 użytkownik Valentina Erastova napisał: > > Excel. > See p. 82 of gromacs manual;) > V > > > On 22 Aug 2013, at 09:14, <[email protected] <javascript:>> > wrote: > > Dear Users, > > I have one of my potentials in table_B_B.xvg. I wish to move the whole > potential of 1 kj/mol down to see how will that affect other distributions. > Which tool can I use to also have derivatives in the last column? > > Steven > > -- > 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/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. For more options, visit https://groups.google.com/groups/opt_out.
