Regarding problem in psfgen of heparin

From: siddharth kamal (411cy5084_at_nitrkl.ac.in)
Date: Fri Oct 02 2015 - 14:20:15 CDT

Dear user's
 I am trying to generate the psf and pdb file of heparin. In structure the sulfated amine part is showing problem problem.

Here the psfgen script i am using

package require psfgen
topology top_all36_carb_c.rtf
resetpsf
segment CT {
pdb HPN_1.pdb
}
coordpdb HPN_1.pdb CT
patch SUF6 CT:1
patch NHSHB CT:1

guesscoord
writepdb final_HP.pdb
writepsf final_HP.psf

please see images in the attachment and try to help me out.

Thanking you
Siddharth


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