Can you copy and paste into here what you see between: "Select a reference group and 1 group"
And "Select a group:" When you run the script. Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@pharm.monash.edu.au +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of Nilesh Dhumal > Sent: Tuesday, 18 May 2010 9:29 AM > To: Discussion list for GROMACS users > Subject: RE: [gmx-users] g_sdf : error > > hey > Sorry for typing mistake. > I used ths command. > g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s 3.tpr -mode 1 -o sdf.plt -r > > Nilesh > > On Mon, May 17, 2010 6:37 pm, Dallas B. Warren wrote: > >> g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s -mode 1 3.tpr -o sdf.plt > -r > > > > Is that the exact command line you used? If so, doubt it would > actually > > work, since it should be: > > > > g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s 3.tpr -mode 1 -o sdf.plt - > r > > > > Catch ya, > > > > > > Dr. Dallas Warren > > Drug Delivery, Disposition and Dynamics > > Monash Institute of Pharmaceutical Sciences, Monash University > > 381 Royal Parade, Parkville VIC 3010 > > dallas.war...@pharm.monash.edu.au +61 3 9903 9167 > > --------------------------------- > > When the only tool you own is a hammer, every problem begins to > resemble > > a nail. > > > >> -----Original Message----- > >> From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > >> boun...@gromacs.org] On Behalf Of Nilesh Dhumal Sent: Tuesday, 18 > May > >> 2010 5:55 AM > >> To: gmx-users@gromacs.org > >> Subject: [gmx-users] g_sdf : error > >> > >> > >> Hello, > >> I am trying to run g_sdf for sovlation for glucose in ionic liquids. > >> I am trying to find distribution of anion around glucose. > >> > >> > >> > >> g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s -mode 1 3.tpr -o sdf.plt > -r > >> > >> First three group I selected from the same residue (Glucose). Forth > >> grouup I selected from as anion (Anion residue ). I am geting > following > >> > > error. > >> > >> Fatal error: > >> For single particle SDF, all reference groupsmust have the same > size. > >> > >> > >> Thanks > >> > >> > >> Nilesh > >> > >> > >> > >> > >> > >> > >> > >> > >> > >> > >> -- > >> gmx-users mailing list gmx-users@gromacs.org > >> http://lists.gromacs.org/mailman/listinfo/gmx-users > >> Please search the archive at http://www.gromacs.org/search before > >> posting! Please don't post (un)subscribe requests to the list. Use > the > >> www interface or send it to gmx-users-requ...@gromacs.org. Can't > post? > >> Read http://www.gromacs.org/mailing_lists/users.php > >> > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. Can't > post? Read > > http://www.gromacs.org/mailing_lists/users.php > > > > > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before > posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
