Thanks Mara and Christoph for clarifications. I was trying to use csg_inverse command just to run one CG-MD simulation using given table.xvg for CG potentials. As Christoph suggested, I guess, I don't have to modify inverse.sh script; instead I just need to replace some update, prepare etc. scripts with appropriate scripts and overload post_update, post_add scripts with dummy.sh.
thanks sikandar On Mon, Aug 8, 2011 at 3:20 AM, Christoph Junghans <[email protected]>wrote: > Hi Sikandar, > > everything Mara said was right, except for the fact that inverse.sh is > one of the scripts, where overloading is not supported. The main > reason for this is, that inverse.sh is a complete script in itself. So > if you really want to change it, you can execute a modified copy. > > Usually there is no need to change inverse.sh. What do you actually want to > do? > If you want to skip something like post update or post add you can > just overload post_update_generic.sh or > post_add.sh with dummy.sh. > > Cheers, > > Christoph > > 2011/8/8 Mara Jochum <[email protected]>: > >> Does csg_call command first look for scripts ( defined by keys in > > csg_table) in user specified directory > >> and then look in default/original installation dir, so that I can have > > two scripts with same name but different > >> operations and in different locations? > > > > Yes. As long as the user directory is specified under "scriptpath" in > > the options xml file, it will look there first. > > Be sure to have a separate csg_table file in this directory containing > > the two keywords and name of the script > > which you want to include. For example, if you want to modify > > inverse.sh, you would: > > > > - Make a copy of the script you want to modify (inverse.sh) > > - Add a csg_table which contains the keywords and scriptname of the > > modified script > > (i.e. csg master inverse.sh) > > - Provide the path to the directory which contrains your new script (and > > csg_table) to the xml file > > > > Hope this helps, > > > > - Mara > > > > -- > > You received this message because you are subscribed to the Google Groups > "votca" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > [email protected]. > > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > > > > > > > > -- > Dr. Christoph Junghans > Votca Core Developer > > Web: http://www.votca.org > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
