Dear David,
Thank you four reply. Since g_bond can read gro file as input. I amde
the following test. I made a short gro file test.gro as:
e100p64e100.pdb
8
1PEO C1 1 4.069 2.093 1.068 0.1450 0.0605 -0.1344
1PEO C2 2 3.829 2.253 0.932 -0.0153 -0.1263 0.2339
1PEO C3 3 3.758 2.298 0.621 0.0345 -0.0676 0.0808
1PEO C4 4 3.597 2.147 0.396 0.3742 0.2042 -0.2398
2PEO C1 5 3.332 2.252 0.360 -0.1458 -0.0531 -0.3600
2PEO C2 6 3.243 2.412 0.104 -0.0849 0.1382 0.1444
2PEO C3 7 2.984 2.456 -0.060 -0.1546 0.3956 -0.0143
2PEO C4 8 3.080 2.278 -0.316 0.1942 -0.1982 0.3747
5.64027 3.42476 11.12249
My index file bond.ndx is :
[bond]
1 2
2 3
3 4
Then I tried to use:
g_bond -f test.gro -n bond.ndx
I got the error message:
Fatal error:
No distribution... (i0 = 999, i1 = 1)? ? ! ! ? !
Could you please tell me where is the error? Thank you!
Dongsheng
On Wed, 2006-07-19 at 08:40 +0200, David van der Spoel wrote:
> Dongsheng Zhang wrote:
> > Hello, GMX users,
> >
> > When I tried to use g_bond -f *xtc -n *.ndx to get a bond length, I got
> > an error message as follows:
> >
> > Fatal error:
> > No distribution... (i0 = 999, i1 = 1)? ? ! ! ? !
>
> You probably have given the program an empty index file.
> All bonds have length 0 anyway.
>
> >
> > Could someone tell me what that means? Thank you in advance!
> >
> > Dongsheng
> > _______________________________________________
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