[gmx-users] a pdb2gmx problem for NON aminoacids

[David van der Spoel]

On Thu, 29 Nov 2001, Marc Lensink wrote:

from prodrg
HETATM    1  C11 DRG     1      13.490  31.690  14.980  1.00 20.00
HETATM    2  H11 DRG     1      13.834  31.579  14.048  1.00 20.00
HETATM    3  H12 DRG     1      13.869  30.971  15.563  1.00 20.00
HETATM    4  H13 DRG     1      12.492  31.624  14.977  1.00 20.00
HETATM    5  C12 DRG     1      13.910  33.060  15.520  1.00 20.00
HETATM    6  H14 DRG     1      13.531  33.774  14.932  1.00 20.00
HETATM    7  H15 DRG     1      14.908  33.121  15.518  1.00 20.00
HETATM    8  O13 DRG     1      13.430  33.250  16.860  1.00 20.00
HETATM    9  HA  DRG     1      13.650  34.180  17.150  1.00 20.00

just type in there:
c-c-o
and click the button

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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