AMBER Archive (2005)

Subject: AMBER:Hydroxy Proline

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Thu Jan 20 2005 - 03:19:42 CST

i tried to create a AmberpramPrep file for Non standered hydroxy
proline from Standered Hydroxy proline.In that i don't know the
parameter fields.
i copied from c treminal oxygen atem paramer and i pasted it.
when i loaded the pdb it accepts.but when i create the modfied
param94.dat file i don't know the values for torsion angle, in bond
parameter other than bond length,in bond angle parameter other than
bond angle.how can i assign them.how to calculate or get these
values.here i included my modfied parm94.dat file and modifed
amberparamPrep file.
please help me in this regard.
used package amber 6.0 in SGI O2,IRIX 

-- 
S.Sundar Raman
Chemical Lab,
CLRI
Chennai-20
ph: 044-24411830
  • application/octet-stream attachment: hyp.in
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