Hello All,

Is there any way Charmm can read pdb and dcd produced by openMM? The code that Charmm reads pdb and dcd cannot open files of OpenMM. I know there are software like mdtraj for post analysis of trajectory, but only Charmm has an option to measure nonbond interactions between different parts of molecule.

OPEN UNIT 1 FORM READ NAME step3_pbcsetup.psf
READ PSF CARD UNIT 1
CLOSe UNIT 1
OPEN UNIT 1 READ CARD NAME PFF_8cell_last.pdb
READ COOR pdb UNIT 1
CLOSE UNIT 1

open unit 21 read unform name PFF_8cell_10ns.dcd

OPNLGU> Unit 1 cannot be opened as PFF_8CELL_LAST.PDB

***** LEVEL 0 WARNING FROM *****
***** "OPEN" not possible.

Last edited by Allen_123; 01/14/21 05:16 AM.