"desc complex" command does work. Thank you!
Yeping Sun
Institute of Microbiology, Chinese Academy of Sciences
------------------------------------------------------------------发件人：case <case.biomaps.rutgers.edu>发送时间：2013年8月28日(星期三) 10:03收件人：AMBER Mailing List <amber.ambermd.org>主 题：Re: [AMBER] problems with disulfide bond creationOn Wed, Aug 28, 2013, sunyeping wrote:> > I am dealing with a protein with three chains and want to create the> input file for amber MD. The protein has three disulfide bonds. They> are:> > Chain A: residue 101 and 164> Chain A: residue 203 and residue 259> Chain B: residue 25 and residu2 80> > Using bond command in tleap works well for the first two disulfide bonds> in chain A, but I don't know how to create the disulfide bonds in chain> B. I tried:> > bond complex.25.SG complex.80.SG> > but it returns:> > Â bond complex.25.SG complex.80.SGÂ bond: Argument #1 is type String> must be of type: [atom]usage:Â bond <atom1> <atom2> [order]Use the "desc complex" command to find out what residue numbers go withwith residues....dac_______________________________________________AMBER mailing listAMBER.ambermd.orghttp://lists.ambermd.org/mailman/listinfo/amber
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Received on Wed Aug 28 2013 - 17:30:02 PDT
