[gmx-users] RTP file formats

Mr Bernard Ramos bgrquantum at yahoo.com
Thu May 5 14:32:25 CEST 2011


Hi everyone!
 
The *.rtp file formats we have on Gromacs rtp file exmaples do not necessarily have the [dihedrals] or [impropers] part. They normally only have the [atoms] and [bonds]. In fact, the [bonds] section do not enumerate the constants or parameters. This is not what is written or shown as an example in the manual. Is is ok to just enumerate or list down the [atoms] and [bonds] but not including the rest? Thanks. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110505/58bfb95d/attachment.html>


More information about the gromacs.org_gmx-users mailing list