AMBER Archive (2004)

Subject: AMBER: NHE problem

From: Ryan Ye (ryejob_at_yahoo.com)
Date: Sat May 22 2004 - 00:36:44 CDT


Hi AMBER users,

I am trying to use ACE and NHE groups in AMBER 7. When
I loaded my pdb file into leap, there's no warning but
NHE groups didn't show up in either "edit" or "desc".
I followed the "tleap -s" suggestion I found in this
archive anyway but it didn't work. Does anyone have an
idea?

Thanks a lot!

My pdb file reads (I have prep file for HYP):
-----------------------------
ATOM 1 CH3 ACE A 1 -13.145 0.365 34.870
 1.00 0.00
ATOM 2 C ACE A 1 -14.125 -0.002 33.780
 1.00 0.00
ATOM 3 O ACE A 1 -14.483 0.852 32.956
 1.00 0.00
ATOM 4 N GLY A 2 -14.542 -1.280 33.798
 1.00 17.76
ATOM 5 CA GLY A 2 -15.484 -1.744 32.798
 1.00 15.60
ATOM 6 C GLY A 2 -14.801 -2.619 31.765
 1.00 14.46
ATOM 7 O GLY A 2 -13.614 -2.928 31.904
 1.00 14.17
... .... .... .....
ATOM 148 N HYP A 25 10.664 -3.873 -26.526
 1.00 5.53
ATOM 149 CA HYP A 25 11.649 -3.218 -27.388
 1.00 5.16
ATOM 150 CD HYP A 25 10.865 -5.333 -26.485
 1.00 6.00
ATOM 151 CG HYP A 25 12.274 -5.480 -26.999
 1.00 5.26
ATOM 152 OD1 HYP A 25 13.197 -5.272 -25.933
 1.00 6.64
ATOM 153 CB HYP A 25 12.427 -4.386 -27.995
 1.00 5.19
ATOM 154 C HYP A 25 10.923 -2.443 -28.448
 1.00 0.00
ATOM 155 O HYP A 25 11.653 -1.838 -29.247
 1.00 0.00
ATOM 156 N NHE A 26 9.598 -2.441 -28.478
 1.00 0.00
TER 157 NHE A 26

        
                
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