<span class="sender">Dear Teemu Murtola</span><br><br>I study interaction of protein-dna in water. I want to obtain number of water molecule which are simultaneously closer than 3 A° from protein and DNA.<br>my selection.dat file is as follows:<br>
<br>waterO = group SOL and name OW;<br>heavy1 = group Protein and group "Protein-H";<br>heavy2 = group DNA and group "Protein-H";<br>inter = waterO and within 0.3 of heavy1 and within 0.3 of heavy2;<br>
inter;<br><br>when I use g-select -f .xtc -s .tpr -n .ndx -sf , <br><br><br>selection parser: syntax error<br> heavy1 = group Protein and group "Protein-H"'<br>-------------------------------------------------------<br>
Program g_select, VERSION 4.5.1<br>Source code file: trajana.c, line: 1310<br><br>Input error or input inconsistency:<br>selection(s) could not be parsed<br>For more information and tips for troubleshooting, please check the GROMACS<br>
website at <a href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a><br><br>Am I doing it incorrect ? Is there problem in my .ndx file?<br>Is this error a bug in gromacs 4.5.1?<br>
<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><br>