<div dir="ltr"><div><div><div><div>Thank you very much for the response. I did the following.<br><br>1. git clone git://<a href="http://git.gromacs.org/gromacs.git">git.gromacs.org/gromacs.git</a> (to download the master branch)<br>
<br>2. git fetch <a href="https://gerrit.gromacs.org/gromacs">https://gerrit.gromacs.org/gromacs</a> refs/changes/59/2659/84 && git format-patch -1 --stdout FETCH_HEAD (to apply patch to the source code)<br><br></div>
3. mkdir build and under the build folder $cmake .. -DGMX_MPI=ON -DGMX_GPU=OFF -DGMX_BUILD_OWN_FFTW=ON -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=_mpi -DGMX_LIBS_SUFFIX=_mpi <br><br></div>4. Once the installation completed, under the bin folder I see all the tools same as before and didn't see any new tool related to waxsdebye. Version shows VERSION 5.1-dev-20140821-d9c0e41.<br>
<br></div>May I know what is the name of new tool for WAXS/SAXS calculation. <br><br></div>Thanks in advance.<br><div><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Aug 22, 2014 at 1:51 PM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="">On 2014-08-22 05:38, Anjaiah Nalaparaju wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Dr. David van der Spoel,<br>
<br>
I am interested in the module you have been developing for WAXS/SAXS. I<br>
was introduced to this patch by Dr.Alexey Shvestov. I have two queries<br>
related to the this module and I have been suggested to contact you to<br>
get the accurate information on my queries.<br>
<br>
1. I have downloaded the latest code (patch 83), if I install this copy<br>
I still didn't get the gmx waxsdebye or g_waxdebye tool to use under bin<br>
folder. Could you please guide me how can we try and test this tool now.<br>
</blockquote></div>
You download the latest master branch, then apply the patch to the source code, by copying the link on the gerrit web site and rebuild and install. This works for us. We are still doing a bit of development but it is almost finished.<div class="">
<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
2. I am just curious to know why the same approach as g_sans has not<br>
been used in this module. I mean working in the real space was not chosen.<br>
</blockquote></div>
In fact I don't know, Alexey has suggested the approaches are similar but I have not looked into it I must admit.<div class=""><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Thanks in advance for your time and help. Sorry for sending mail to your<br>
personal email id.I have posted part of my queries in gmxdevelopers list<br>
but didnt get response.<br>
</blockquote></div>
Sorry about that, but let's move the discussion back to the developers list so that others can join in as well. Please post further questions there in other words.<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Best regards,<br>
Anjaiah<span class="HOEnZb"><font color="#888888"><br>
</font></span></blockquote><span class="HOEnZb"><font color="#888888">
<br>
<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: <a href="tel:%2B46184714205" value="+46184714205" target="_blank">+46184714205</a>.<br>
<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a> <a href="http://folding.bmc.uu.se" target="_blank">http://folding.bmc.uu.se</a><br>
</font></span></blockquote></div><br></div>