odata files

The following odata template files may be necessary, one for each type of OPTIM job which can be launched by PATHSAMPLE. If CONNECTIONS is set to one or fewer then only an odata.connect template is needed.

Please refer to the OPTIM manual[6] for details of odata files. In the templates the odata file should not contain any coordinates, and should terminate with the POINTS or CHARMM keyword, as appropriate.



David Wales 2017-11-17