X-PLOR: generate.inp
lacount at psc.scarolina.edu
LACOUNT at PSC.PSC.SC.EDU
Fri Jan 17 10:00:40 EST 1997
Dear Sir,
I'm in the process of refining a protein molecule containing a heme
protoporphyrin IX group. However, I cannot generate the *.psf and
*.pdb files, using generate.inp, for the heme group. I'm currently using
param19x.heme and toph19x.heme for my parameter and topolgy files.
I've also tried the other available heme parameter and topolgy files,
but I've had zero success. The output states that I'm missing
bond energy constants and target bond lengths for the following
atoms:
CAA CH2E
CBA CH2E
CGA C
O1A OC
O2A OC
CAB CR1E
CBB CH2E
CAC CR1E
CBC CH2E
CBD CH2E
CGD C
O1D OC
O2D OC
Could you please offer some suggestions that could resolve this
problem.
Thank you for your time and expertise,
M.LaCount.
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