[gmx-users] Regarding PDB file

[Ravi Kumar Venkatraman]

Dear All,

             To remove water of crystallization from pdb files. I removed
following things from pdb file.


REMARK   3   SOLVENT ATOMS            : 78

.............................................................
.............................................................

HETATM 1072  O   HOH A 199      16.684  13.594  -5.832  0.31 18.51
O
HETATM 1073  O   HOH A 200      27.534  38.059 -12.862  0.48 18.19
O
HETATM 1074  O   HOH A 201      25.892  35.973  11.563  0.46 18.15
O
HETATM 1075  O   HOH A 202      24.790  25.182  16.063  0.46 17.64
O
HETATM 1076  O   HOH A 203      12.580  21.214   5.006  0.51 17.97
O
HETATM 1077  O   HOH A 204      19.687  23.750  -4.851  0.37 18.08
O
HETATM 1078  O   HOH A 205      27.098  35.956 -12.358  0.39 18.71
O
HETATM 1079  O   HOH A 206      37.255   9.634  10.002  0.46 18.39
O
HETATM 1080  O   HOH A 207      43.755  23.843   8.038  0.38 17.96
O
CONECT   48  981
CONECT  238  889
CONECT  513  630
CONECT  601  724
CONECT  630  513
CONECT  724  601
CONECT  889  238
CONECT  981   48

Is this right or I have to delete some other things also.

Thank you

*With Regards,**
*
*
*
*Ravi Kumar Venkatraman,*
*c/o Prof. Siva Umapathy,**
*
*IPC Dept., IISc.,*
*Bangalore, INDIA.*
*Phone No: +91-9686933963*
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