<font size="2"><span style="font-family: arial,helvetica,sans-serif;">Dear Justin</span><br style="font-family: arial,helvetica,sans-serif;"><br>very thanks for your time and attention.<br><br>I checked my input files again. there was problem in .pdb file. <br>
<br>correction of .pdb file results in output file being as follows (previous problem was solved):<br><br>#    Donor                           Acceptor                           % Exist.<br>                                                                                       0.160<br>
      NGL1             N            SOL2225            OW         0.400<br>     ARG58           NH2       SOL3827            OW         43.565<br>     ARG58           NH2       SOL7338            OW         1.839<br>     ARG58           NH1       SOL2225            OW         0.080<br>
     ARG58           NH1       SOL2253            OW          21.663<br>     ARG58           NH1       SOL7338            OW         0.160<br>     ARG58            NE       SOL3595             OW           1.359<br>   SOL1043            OW          GLY3              O             1.759<br>
   SOL1043            OW          GLY4              O             0.400<br>   SOL1548            OW         THR47             O            61.711<br>   SOL1548            OW         ASN51           OD1         16.867<br>   SOL1548            OW         ASN51           ND2          0.320<br>
   SOL1805            OW         GLN23           OE1         11.191<br>   SOL1805            OW         LEU26             O            0.160<br>   SOL1805            OW         SER27             N            0.160<br><br>
</font>best regards<br clear="all"><br>-- <br><pre style="font-family: arial,helvetica,sans-serif;">Leila Karami<br>Ph.D. student of Physical Chemistry<br>K.N. Toosi University of Technology<br>Theoretical Physical Chemistry Group</pre>
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