[gmx-users] Errors "There were 2 inconsistent shifts. Check your topology" after I moved my peptide with VMD
vvchaban at gmail.com
Wed Jul 15 15:32:09 CEST 2015
The easy way is to run an energy minimization.
Perhaps, you will want to freeze some part of your system before to
avoid large displacements, if you care.
On Wed, Jul 15, 2015 at 7:29 AM, Vytautas Rakeviius
<vytautas1987 at yahoo.com> wrote:
> I used my charmm-gui.org built system on Gromacs for some time. Then I tried to adjust it little bit and moved my peptide with VMD to other place. I am not sure it is fine because I can get clashes and so on, but I tried it. I want to reuse same topology. Now try to minimize it again and get error:"There were 2 inconsistent shifts. Check your topology"Maybe there is easy way to fix this? Or I have to rebuild everything from 0?
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