<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi,</DIV>
<DIV>I am simulating monoclinic hydroxyapatite CA10 (PO4)6 (OH)2.</DIV>
<DIV>I have found a PDB of CA5 (PO4)3 (OH) in internet , whitch consits of 22 atoms.</DIV>
<DIV>the monoclinic structure of <SPAN class=yshortcuts id=lw_1233724894_0>HAP</SPAN> has however 88 atoms and <SPAN class=yshortcuts id=lw_1233724894_1>space group</SPAN> (P 21/b)</DIV>
<DIV>it means to generate the super cell of HAP i have to feed editconf with the </DIV>
<DIV>appropriate CRYST1 record in PDB file. </DIV>
<DIV> </DIV>
<DIV>CRYST1 9.42 18.86 6.88 90.00 120.00 90.00 P 1 21 1 4</DIV>
<DIV> </DIV>
<DIV>according to CRYST1 record: because of Z value and space group i should get a .gro</DIV>
<DIV>file of the whol 88 atoms but editconf gives me only a .gro file with 22 atom.</DIV>
<DIV>am i on the right way to generate the super cell with 88 atoms.</DIV>
<DIV>I appreciate your help!</DIV>
<DIV> </DIV>
<DIV> </DIV></td></tr></table><br>