Re: [gmx-users] I want to drag two atoms together with GROMCS SMD options.

2017-03-10 Thread Justin Lemkul
On 3/10/17 2:56 AM, Vytautas Rakeviius wrote: Thanks, and now after some time I get:"Pull reference distance for coordinate 3 () needs to be non-negative"How to solve this error? Please provide the text of the relevant pull options that you're using. -Justin --

Re: [gmx-users] I want to drag two atoms together with GROMCS SMD options.

2017-03-09 Thread Vytautas Rakeviius
Thanks, and now after some time I get:"Pull reference distance for coordinate 3 () needs to be non-negative"How to solve this error? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read

Re: [gmx-users] I want to drag two atoms together with GROMCS SMD options.

2017-03-09 Thread Justin Lemkul
On 3/9/17 3:00 AM, Vytautas Rakeviius wrote: Hello, I want to drag two atoms together with GROMCS SMD options.But I tried different options and still those groups are pushed away one from another.I would be very thankful if someone edits this code example (from:

[gmx-users] I want to drag two atoms together with GROMCS SMD options.

2017-03-09 Thread Vytautas Rakeviius
Hello, I want to drag two atoms together with GROMCS SMD options.But I tried different options and still those groups are pushed away one from another.I would be very thankful if someone edits this code example (from: