:-) Thanks Justin.
Sincerely, Shima ----- Original Message ----- From: Justin Lemkul <[email protected]> To: Shima Arasteh <[email protected]>; Discussion list for GROMACS users <[email protected]> Cc: Sent: Friday, August 17, 2012 10:07 PM Subject: Re: [gmx-users] 4 question On 8/17/12 1:33 PM, Shima Arasteh wrote: > Hi, > > The .pdb file either should be dowloaded from RCSB website or you need to > construct the structure by a software such as hyperchem and save the > structure in .pdb format, so you are not supposed to get .pdb output through > pdb2gmx command. > The output configuration produced by pdb2gmx can be any number of formats that the user chooses. The .gro file format is default, but one can obtain .pdb, .g96, etc. Gromacs programs accept and use numerous file formats. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
