Re: [gmx-users] mdp file warnings

2012-12-17 Thread Eduardo Oliveira
Ok, Thanks a lot! De: Justin Lemkul Para: Discussion list for GROMACS users 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 al

Re: [gmx-users] mdp file warnings

2012-12-17 Thread Justin Lemkul
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

Re: [gmx-users] mdp file warnings

2012-12-17 Thread Eduardo Oliveira
GROMACS users Enviadas: Segunda-feira, 17 de Dezembro de 2012 11:57 Assunto: Re: [gmx-users] mdp file warnings On 12/17/12 8:55 AM, Eduardo Oliveira wrote: > Hi, > > I'm setting my system but when I run grompp I get a warning and the program > terminates.  It says the follo

Re: [gmx-users] mdp file warnings

2012-12-17 Thread Justin Lemkul
On 12/17/12 8:55 AM, Eduardo Oliveira wrote: Hi, I'm setting my system but when I run grompp I get a warning and the program terminates. It says the following: You are using pressure coupling with absolute position restraints, this will give artifacts. Use refcoord_scaling option. I wan

[gmx-users] mdp file warnings

2012-12-17 Thread Eduardo Oliveira
Hi, I'm setting my system but when I run grompp I get a warning and the program terminates.  It says the following:  You are using  pressure coupling with absolute position restraints, this will give artifacts. Use refcoord_scaling option. I want to try it but i don't know where to change thi