[gmx-users] g_rms problem
Albert
mailmd2011 at gmail.com
Sun Oct 28 16:53:38 CET 2012
On 10/28/2012 01:19 PM, Christopher Neale wrote:
> How many atoms are in each .pdb file?
>
> for i in $(ls *pdb); do grep ^ATOM $i|wc -l; done |sort -n |head
> for i in $(ls *pdb); do grep ^ATOM $i|wc -l; done |sort -n |tail
>
> Chris.
Hi Chris:
they are 1838 atoms in each PDB file and all of them are full atoms. I
run the command you provide and I got:
1838
1838
1838
1838
1838
1838
1838
1838
1838
1838
1838
1838
When I try to reuse g_rms, the problem is still the same.
thank you very much
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