Dear Erik
thank for your answer.
my rtp file for amber 03 force field is as follow :
[ NGLY ]
[ atoms ]
N amber99_39 0.29430 1
H1 amber99_17 0.16420 2
H2 amber99_17 0.16420 3
H3 amber99_17 0.16420 4
CA amber99_11 -0.01000 5
HA1 amber99_28 0.08950 6
HA2 amber99_28 0.08950 7
C amber99_2 0.61630 8
O amber99_41 -0.57220 9
and my top file is as follow :
[ atoms
]
; nr type resnr residue atom cgnr charge mass
1 amber99_39 1 NGLY N 1 0.2943 14.01
2 amber99_17 1 NGLY H1 2 0.1642 1.008
3 amber99_17 1 NGLY H2 2 0.1642 1.008
4 amber99_17 1 NGLY H3 2 0.1642 1.008
5 amber99_11 1 NGLY CA 3 -0.01 12.01
6 amber99_28 1 NGLY HA1 4 0.0895 1.008
7 amber99_28 1 NGLY HA2 5 0.0895 1.008
8 amber99_2 1 NGLY C 6 0.6163 12.01
9 amber99_41 1 NGLY O 7 -0.5722 16
what relation is there between both of my rtp and top file in above ?
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
