Ok, Thanks a lot!
________________________________ De: Justin Lemkul <[email protected]> Para: Discussion list for GROMACS users <[email protected]> Enviadas: Segunda-feira, 17 de Dezembro de 2012 12:08 Assunto: Re: [gmx-users] mdp file warnings On 12/17/12 9:06 AM, Eduardo Oliveira wrote: > OK, so if i got this right all I have to do is add another line in the mdp > file > with refcoord_scaling = com? I thought that i had to make a substitution in > one > of the existing terms. > Right, it's a new term entirely (see the manual). All keywords have a default setting that is accepted if not explicitly given in the .mdp file. For refcoord_scaling, the default is "no," which will trigger the warning you got when used with position restraints. -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 * 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * 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
