[gmx-users] about H-Bonds g_hbond

Justin A. Lemkul jalemkul at vt.edu
Mon Apr 19 16:16:29 CEST 2010

babu gokul wrote:
> Hi all
> I am getting an error in g_hbond such as
>  " Program g_hbond_d, VERSION 4.0.7
> Source code file: gmx_hbond.c, line: 565
> Fatal error:
> Error in func_type Position Rest."
>  Could anyone tell me how to solve this problem.
> thanks in advance

If you have position restraints defined, you can't run g_hbond for some reason. 
  The work-around is to re-generate a .tpr file that does not use position 
restraints and do the analysis.


> E R Azhagiya singam
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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