FW: neb calculation

with your help (and also Steve's) I was able to figure out how the input and data files should be made. I was using the same structure for the data file of all of the replicas (including the first one),

N atoms
ID1 x1 y1 z1
ID2 x2 y2 z2
IDN xN yN zN

while only replicas 2, 3, ... must have that format, and not the replica 1, which has the format corresponding to the atom_style which is being used. I didn't find yet the saddle points I'm looking for (I guess it's not easy and one has to try using different replicas to get the proper MEP and so the saddle point).
I have another question. How can I get the final structure of each replica and the structure of the saddle point after the neb calculation?

Thank you very much

Manuel Monge-Palacios
Postdoctoral Fellow
Department of Theoretical Chemistry
University of Missouri-Columbia

See the output section of the neb doc page. Each replica
(including the one at the saddle point) can output dump