PSF Generation Demo
Files to Download
- psfdemo - shell script which applies psfgen to BPTI
- 6PTI.pdb - structure of BPTI, original format from PDB
- top_all22_prot.inp - CHARMM22 topology file
- bpti.namd - NAMD configuration file which uses results of psfdemo
- par_all22_prot.inp - CHARMM22 parameter file
To Run the Demo
- READ psfdemo (many comments!) to understand what it is doing.
- Run psfdemo to create output/bpti.psf and output/bpti.pdb.
- Run NAMD with the config file bpti.namd. (To see that it works.)
Sample Output
- psfdemo.log - output of psfdemo
- output/bpti.psf and output/bpti.pdb
