AMBER Archive (2004)

Subject: AMBER: A problem regarding constant pH calculation in Amber 8

From: Yongzhi Chen (yongzhi_mms_at_yahoo.com)
Date: Mon Jul 19 2004 - 20:54:43 CDT

Dear Amber users/developers,

According to the manual of Amber8 , I need to modify
the pdb file to generate new prmtop files. I am asked
to replace all residues HIS with HIP, ASP with AS4,
GLU with GL4. But when I tried to generate new prmtop
files, I got these errors:

Could not find angle parameter: HO - OH - HO
Could not find angle parameter: OH - C - OH
Could not find angle parameter: HO - OH - HO
.........

I modified the residue one by one and found that these
errors came from only I replaced the ASP with AS4. I
do not know how to fix it.

Please check the attachment to get my pdb file.

Thanks very much!

Best,
Yongzhi

                
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