<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD><TITLE></TITLE>
<META http-equiv=Content-Type content="text/html; charset=us-ascii">
<META content="MSHTML 6.00.2800.1226" name=GENERATOR></HEAD>
<BODY>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN
class=931172114-15092003>Hi-</SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN class=931172114-15092003>David
was just indicating a way to do it all in one command line. EOF or any other
symbol will feed the remaining input until the next EOF to the invoked
program</SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN class=931172114-15092003>Try
</SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN
class=931172114-15092003>make_ndx -f topol.tpr </SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN class=931172114-15092003>and
then </SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN
class=931172114-15092003>trjconv -n</SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN class=931172114-15092003>and
you'll see.</SPAN></FONT></DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN
class=931172114-15092003></SPAN></FONT> </DIV>
<DIV><FONT face=Arial color=#0000ff size=2><SPAN
class=931172114-15092003></SPAN></FONT> </DIV>
<BLOCKQUOTE>
<DIV class=OutlookMessageHeader dir=ltr align=left><FONT face=Tahoma
size=2>-----Original Message-----<BR><B>From:</B> gmx-users-admin@gromacs.org
[mailto:gmx-users-admin@gromacs.org]<B>On Behalf Of </B>Tanos<BR><B>Sent:</B>
Monday, September 15, 2003 8:05 AM<BR><B>To:</B>
gmx-users@gromacs.org<BR><B>Subject:</B> [gmx-users] EOF
??<BR><BR></FONT></DIV><PRE wrap=""><DIV class=moz-txt-sig> Dear David,
Thanks a lot for your help but a strinking doubt remains in my mind: Sorry if it looks boring for you, but I am yet a dummie in gmx and the expressions "<< EOF q EOF" or "<< EOF" does not make sense for me. What does it means ????? I've already used make_ndx -f topol.tpr ... and than, trjconv -n .... My problem is just wich files to use after topol.tpr and trjconv -n and wich flags to use. I've tryed .gro but it did'not work.
Thanks a lot in advance.
Tanos C. C. Franca.
IME - Rio de Janeiro - Brazil
On Sat, 2003-09-13 at 19:52, Tanos wrote:
</DIV></PRE>
<BLOCKQUOTE type="cite"><PRE wrap=""><SPAN class=moz-txt-citetags>> </SPAN> Dear users,
<SPAN class=moz-txt-citetags>> </SPAN> I am trying without success to extract my protein from the water box
<SPAN class=moz-txt-citetags>> </SPAN>final .gro file generated in a dynamics. I have used trjconv but it's
<SPAN class=moz-txt-citetags>> </SPAN>not working because I don't know the rigth sequence of flags and
<SPAN class=moz-txt-citetags>> </SPAN>options to use. Does someone know how should I proceed ????
<SPAN class=moz-txt-citetags>> </SPAN> Lots of thanks in advance.
</PRE></BLOCKQUOTE><PRE wrap=""><!---->make_ndx -f topol.tpr << EOF q EOF
trjconv -n << EOF
1
EOF
</PRE>_______________________________________________ gmx-users mailing list
gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please
don't post (un)subscribe requests to the list. Use the www interface or send
it to gmx-users-request@gromacs.org. </BLOCKQUOTE></BODY></HTML>