<DIV>Hi, David,</DIV>
<DIV> </DIV>
<DIV>Thanks a lot. I am going to give it a whirl.</DIV>
<DIV> </DIV>
<DIV>Xiaobing</DIV>
<DIV><BR><BR><B><I>David <spoel@xray.bmc.uu.se></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">On Wed, 2004-03-31 at 16:51, xiaobing tian wrote:<BR>> Dear Dr. Warren,<BR>> <BR>> Thank you for your explanation. By the way, besides compiling it, are<BR>> there any other solutions to edit the SS tolerance?<BR>> <BR><BR>No.<BR><BR>But you can still edit your coordinate file such that the appropriate<BR>sulphurs are within the limits. Use a text editor...<BR><BR>> Have a good day,<BR>> <BR>> Xiaobing<BR>> Dallas Warren <DALLAS.WARREN@VCP.MONASH.EDU.AU>wrote:<BR>> >Thank you for your kind reply. However, I didn't untar the<BR>> Gramcs file. I <BR>> >just download the gromacs-3.2.1-i386.rpm to /root directory<BR>> and installed <BR>> >it at same directory in my Linux Red Hat 8.0. In this case,<BR>> where is it <BR>> >possibly?<BR>> <BR>> I am sure the developing guys will answer when it comes around<BR>> to their day
<BR>> time, but I suspect that it doesn't exist on that machine<BR>> since the .c file <BR>> is a program/script file written in C and is compiled to<BR>> produce the <BR>> appropriate GROMACS code. With an rpm the compiling etc has<BR>> already been <BR>> done, so those .c files aren't needed.<BR>> <BR>> If you want to gain access to the scripts and adjust them to<BR>> your needs, I <BR>> suspect you will need to use the compiling version, so you<BR>> have all the <BR>> source scripts/code/libraries etc.<BR>> <BR>> Catch ya,<BR>> <BR>> Dr. Dallas Warren<BR>> Research Fellow<BR>> Department of Pharmaceutical Biology and Pharmacology<BR>> Victorian College of Pharmacy, Monash University<BR>> 381 Royal Parade, Parkville VIC 3010<BR>> dallas.warren@vcp.monash.edu.au<BR>> +61 3 9903 9083<BR>> --------------------------------------------------------------------------<BR>> When the only tool you own is a hammer,
every problem begins<BR>> to resemble a nail.<BR>> <BR>> _______________________________________________<BR>> gmx-users mailing list<BR>> gmx-users@gromacs.org<BR>> http://www.gromacs.org/mailman/listinfo/gmx-users<BR>> Please don't post (un)subscribe requests to the list. Use the <BR>> www interface or send it to gmx-users-request@gromacs.org.<BR>> <BR>> <BR>> Xiaobing Tian Ph.D.<BR>> Department of Microbiology and Immunology<BR>> Thomas Jefferson University<BR>> 1025 Walnut St., Suite 420<BR>> Philadelphia, PA19107<BR>> Phone: 215-955-1364 (Lab)<BR>> <BR>> <BR>> ______________________________________________________________________<BR>> Do you Yahoo!?<BR>> Yahoo! Finance Tax Center - File online. File on time.<BR>-- <BR>David.<BR>________________________________________________________________________<BR>David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,<BR>Dept. of Cell and Molecular Biology, Uppsala
University.<BR>Husargatan 3, Box 596, 75124 Uppsala, Sweden<BR>phone: 46 18 471 4205 fax: 46 18 511 755<BR>spoel@xray.bmc.uu.se spoel@gromacs.org http://xray.bmc.uu.se/~spoel<BR>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR><BR>_______________________________________________<BR>gmx-users mailing list<BR>gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.</BLOCKQUOTE><BR><BR>Xiaobing Tian Ph.D.<br>Department of Microbiology and Immunology<br>Thomas Jefferson University<br>1025 Walnut St., Suite 420<br>Philadelphia, PA19107<br>Phone: 215-955-1364 (Lab)<p><hr size=1><font face=arial size=-1>Do you Yahoo!?<br>
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