Hello Rajbinder--
> Respected fellow members > Somehow in my input script I am facing a problem in reading charmm topology > file top_all27_prot_lipid.pro and hence in the execution of the script. > It would be very helpful if someone can guide me through the mistake that I > might be doing. > Following is the error message > X-PLOR>RTFRDR> ASSFIL: file /opt/nih/xplor-nih-2.47/toppar/ > top_all27_prot_lipid.pro opened. > RTFRDR>*>>>>>> Combined CHARMM All-Hydrogen Topology File for <<<<<<<<< > %RTFRDR-ERR: unrecognized command: > *>>>>>> As you have discovered, the charmm topology format is not compatible with Xplor-NIH. Of course, translation is possible. However, I would suggest to first run calculations with Xplor-NIH's default force field and then evaluating whether use of the CHARMM force field for refinement is warranted. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
