<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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