I think by running pdb2gmx you can get .itp file. Yeping Sun CAS Key Laboratory of Pathogenic Microbiology & Immunology INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china
--- 11年11月28日，周一, David van der Spoel <[email protected]> 写道： 发件人: David van der Spoel <[email protected]> 主题: Re: [gmx-users] .top to .itp file conversion 收件人: "Discussion list for GROMACS users" <[email protected]> 日期: 2011年11月28日,周一,下午4:22 On 2011-11-28 09:20, neeru sharma wrote: > Dear gromacs users, > > I have generated Amber topology and coordinate files for GTP molecule. > Then, I converted them into the corresponding gromacs topology (.top) > and coordinate files (.gro). Now, I need to convert this gromacs .top > file into .itp format. > Is there any command in gromacs or any other tool to do so. > Thanks > > ---- > Neeru Sharma > CDAC,Pune (India) > > > emacs or vi. your choice. -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. [email protected] http://folding.bmc.uu.se -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
