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
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
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
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
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
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