On Thu, Jul 5, 2018 at 4:53 PM, Alex <[email protected]> wrote: > > Dear all, > > I have the nonbonded interaction between two beads of A and B in the Gromacs > format, table_A_B.xvg, but I have non of the A-B.pot.in or A-B.pot.ib or > A-B.dist.* unfortunately. Now, I wonder if there is any way to convert the > table_A_B.xvg to LAMMPS nonbinded table format? There is no VOTCA tool to do that, but you can just use column 1 and 6, e.g. with $ awk '{print $1,$6, "i"}' table_A_B.xvg > A-B.pot and to get a VOTCA table back, that then convert that VOTCA table to a lammps table using csg_call.
Christoph > > Thanks. > Regards, > Alex > > -- > 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 https://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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
