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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