Dear gmx users,
I have perform an energy minimization on my system and the potential per
step plot has a normal appearance, but the em.gro file doesn't show a
reasonable structure in VMD. Could you tell me why this happened?
Regards,
Farideh
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Hi,
Thanks for the answer. I have shred the files via dropbox:
https://www.dropbox.com/sh/bgcnpwrbvj7ocxg/AAAFKNlpEs5BREDmFPWoUfGma?dl=0
Truly yours,
Farideh
On Tue, Aug 25, 2015 at 3:21 PM, Mark Abraham mark.j.abra...@gmail.com
wrote:
Hi,
Not with that little information. Is the starting
Hi,
Not with that little information. Is the starting structure reasonable?
Upload a screenshot to a file sharing service and show us what you think is
unreasonable :-)
Mark
On Tue, Aug 25, 2015 at 12:16 PM faride badalkhani
farideh.kham...@gmail.com wrote:
Dear gmx users,
I have perform
On 8/25/15 7:51 AM, faride badalkhani wrote:
Hi,
Thanks for the answer. I have shred the files via dropbox:
https://www.dropbox.com/sh/bgcnpwrbvj7ocxg/AAAFKNlpEs5BREDmFPWoUfGma?dl=0
You have no bonded interactions defined in your topology, so naturally
everything flies apart.
-Justin