Hi Nitu, First of all, please try to use proper english for communication. This way 'u don't make it EC-r 4 us'. Second, you'd be better off getting some understanding of how topologies and coordinate files are put together before trying to do these things. A question like 'can I remove something from an .itp file' is on the verge of being absurd. Of course you can. You just have to make sure that you know what you are doing.
> [ molecules ] > ; Name number > Protein_A 1 > Protein_B 1 > DMPC 119 > only the .itp file is present for protein and lipid > If you only have Protein(A,B) and DMPC in your system, then probably the number of DMPC molecules is not what GROMACS sees in the topology file (119). Check how many DMPC molecules are in your coordinate file and decrease the numebr of DMPC molecules in the topology file. However, I would strongly recommend doing some more reading first and get some grips on the topology (file) format. Probably it wouldn't hurt to follow some more tutorial material. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
