combinecrd

Combine two or more COORDS sets

combinecrd <crd1> <crd2> ... [parmname <topname>] [crdname <crdname>]

<crdX> COORDS data set to combine, specify 2 or more.
[parmname <topname>] Name of combined Topology.
[crdname <crdname>] Name of combined COORDS data set.

Combine two or more COORDS data sets into a single COORDS data set. Note that the resulting topology will most likely not be usable for MD simulations. Box information will be retained – the largest box dimensions will be used.

For example, to load two MOL2 files as COORDS data sets, combine them, and write them out as a single MOL2:

parm Tyr.mol2 [CRD1]
parm Pry.mol2 [CRD2]
loadcrd Tyr.mol2 parm Tyr.mol2 CRD1
loadcrd Pry.mol2 parm Pry.mol2 CRD2
combinecrd CRD1 CRD2 parmname Parm-1-2 crdname CRD-1-2
crdout CRD-1-2 Tyr.Pry.mol2

Notice that is important to assign the topology with the parm keyword.