[gmx-users] make a new bond in VERSION 4.5.4

[Yulian Gavrilov]

Dear Justin, gmx users,

 I forgot to write, but I added these new residues to aminoacids.rtp.

Maybe I need to add them also to aminoacids.r2b? How to do it correctly?
Just new lines in it or add them to lines of Gly and Lys? So, I suppose it
is all steps in
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field


 [ LYQ ]

[ atoms ]

N N -0.41570 1

H H 0.27190 2

CA CT -0.07206 3

HA H1 0.09940 4

CB CT -0.04845 5

HB1 HC 0.03400 6

HB2 HC 0.03400 7

CG CT 0.06612 8

HG1 HC 0.01041 9

HG2 HC 0.01041 10

CD CT -0.03768 11

HD1 HC 0.01155 12

HD2 HC 0.01155 13

CE CT 0.32604 14

HE1 HP -0.03358 15

HE2 HP -0.03358 16

NZ N -0.64977 17

HZ1 H 0.38604 18

C C 0.59730 19

O O -0.56790 20

[ bonds ]

N H

N CA

CA HA

CA CB

CA C

CB HB1

CB HB2

CB CG

CG HG1

CG HG2

CG CD

CD HD1

CD HD2

CD CE

CE HE1

CE HE2

CE NZ

NZ HZ1

C O

-C N

[ impropers ]

-C CA N H

CA +N C O



 [ GLQ ]

[ atoms ]

N N -0.41570 1

H H 0.27190 2

CA CT -0.02520 3

HA1 H1 0.06980 4

HA2 H1 0.06980 5

C C 0.59730 6

O O -0.56790 7

[ bonds ]

N H

N CA

CA HA1

CA HA2

CA C

C O

-C N

[ impropers ]

-C CA N H

CA +N C O

-- 

Sincerely,

Yulian Gavrilov
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