cpptraj icon indicating copy to clipboard operation
cpptraj copied to clipboard

Feature request:SPLIT PDB files per frame using trajout command

Open ghost opened this issue 2 years ago • 1 comments

Hi Dan,

Just wondering if we can do a per frame print out of pdb file rather than using trajout to print a gigantic file containing 1000+frames. Is this possible with the current version of cpptraj where the user can give in a netcdf file and use cpptraj to print out each frame as a separate pdb for visualization? Thanks

ghost avatar Jan 19 '23 17:01 ghost

Just add the multi keyword to the trajout command. See the manual for complete details.

drroe avatar Jan 19 '23 19:01 drroe