varsha gautham wrote:
Dear all,
Am using Dundee prodrug server for the simulation of polymers..I have
generated DRGGMX.ITP files for running gromacs simulation.How to get a
topology file with .top extension so that i can use it in the grompp
step from this.
I used x2top command to generate topolgy file with DRGFIN.GRO as
input.but its saying like "cannot find force field for 13 atoms".Please
help me in this issue.Thanks in advance.
Try some tutorial material (e.g.
http://wiki.gromacs.org/index.php/Category:Tutorials) and/or check out
the examples in Chapter 5 of the manual.
Forget about PRODRG and x2top until you understand the basics.
Mark
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