<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">I think by running pdb2gmx you can get .itp file.<BR><BR>Yeping Sun<BR>CAS Key Laboratory of Pathogenic Microbiology & Immunology<BR>INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES <BR>NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china<BR><BR>--- <B>11年11月28日,周一, David van der Spoel <I><spoel@xray.bmc.uu.se></I></B> 写道:<BR>
<BLOCKQUOTE style="BORDER-LEFT: rgb(16,16,255) 2px solid; PADDING-LEFT: 5px; MARGIN-LEFT: 5px"><BR>发件人: David van der Spoel <spoel@xray.bmc.uu.se><BR>主题: Re: [gmx-users] .top to .itp file conversion<BR>收件人: "Discussion list for GROMACS users" <gmx-users@gromacs.org><BR>日期: 2011年11月28日,周一,下午4:22<BR><BR>
<DIV class=plainMail>On 2011-11-28 09:20, neeru sharma wrote:<BR>> Dear gromacs users,<BR>><BR>> I have generated Amber topology and coordinate files for GTP molecule.<BR>> Then, I converted them into the corresponding gromacs topology (.top)<BR>> and coordinate files (.gro). Now, I need to convert this gromacs .top<BR>> file into .itp format.<BR>> Is there any command in gromacs or any other tool to do so.<BR>> Thanks<BR>><BR>> ----<BR>> Neeru Sharma<BR>> CDAC,Pune (India)<BR>><BR>><BR>><BR>emacs or vi. your choice.<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: +46184714205.<BR><A href="http://cn.mc156.mail.yahoo.com/mc/compose?to=spoel@xray.bmc.uu.se" ymailto="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</A> <A href="http://folding.bmc.uu.se/"
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