<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div id="yiv1838999723"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: arial,helvetica,sans-serif; font-size: 12pt;"><div id="yiv1838999723yui_3_2_0_18_1318493452496112" class="yiv1838999723yui_3_2_0_18_131849345249683" style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Hi All,<br><br>I understand that there were already some discussions about new DSSP exec with do_dssp in gromacs-4.5.4. I just want to make clear, is it true that this two DSSP and do_dssp do not compatible each other? <br><br>I was running in Ubuntu 10.04, and this is what I got:<br><br><span id="yiv1838999723yui_3_2_0_18_1318493452496184" class="yiv1838999723tab"> </span><span id="yiv1838999723yui_3_2_0_18_1318493452496189" class="yiv1838999723tab"> </span><span
id="yiv1838999723yui_3_2_0_18_1318493452496194" class="yiv1838999723tab"> </span>do_dssp -f 300K.trr -s 300K.tpr -o dssp<br><br>I choose 5 'Mainchain'<br><br><span class="tab"> </span><span class="tab"> </span><span class="tab"> </span>Fatal error:<br><span class="tab"> </span><span class="tab"> </span><span class="tab"> </span>Failed to execute command: /home/madndy/dssp/dssp -na ddkbeHeQ ddvDjL4J > /dev/null 2> /dev/null<br><br><br>I already set the "export DSSP=/home/madndy/dssp/dssp", and also try the latest do_dssp.c (from gromacs-4.6) file for instalation. Still didn't work.<br><br>Are there are any suggestion or correction in my step? Or what version of gromacs that work well with DSSP? Or should I get the older version of DSSP that work with do_dssp? And where can I find the older version of DSSP because I can't
find the older version in: http://swift.cmbi.ru.nl/gv/dssp/ . <br><br>Thanx,<br>Randy<br id="yiv1838999723yui_3_2_0_18_1318493452496175"><span></span></div></div></div></div></div></body></html>