> > Hi, > > I have a basic question (since I am new). For starting any simulation as I > understand, is to find a .pdb or .gor file. Pdb files for proteins are > already there, but for a new system what is the easiest and quick way to > find it (which software etc). What about .gro files????? > > I appreciate your help for solve my basic problems. > > Thanks, Jamie >
Jamie, Please see the help for genbox, genconf and editconf utlities of the gromacs package. It seems you should be interested in Protein Data Bank as well: http://www.rcsb.org/pdb/home/home.do ~ Vitaly -- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, mob.: +38-097-8259698 http://www-rmn.univer.kharkov.ua/chaban.html =================================== !!! Looking for a postdoctoral position !!! ===================================
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