[gmx-users] Re: PDB and GRO files

Vitaly V. Chaban vvchaban at gmail.com
Tue Jul 21 23:34:23 CEST 2009

> 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


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:

~ Vitaly

Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698
!!! Looking for a postdoctoral position !!!
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