Generating PDB file corresponding PSF file?

Pharmnmr pharmnmr at pharmnmr.snu.ac.kr
Mon Feb 10 14:18:20 EST 1997


I want to energy-minimze ala-ala dipeptide for exercise.

Before energy minimization, I modified generate.inp and successfully
generated PSF file. But I failed to generate PDB file corresponding to
the PSF and I can't minimize the structure. 

1. How can I generate PDB file corresponding to the PSF?
: It could be generated automatically using any facilities in XPlor or
manually for myself?
2. PDB file format in XPlor is different from general PDB format?

Any comment will be appreciated.
Thank you for your time and expertise,

Lee, Ji Hyun



More information about the X-plor mailing list