You are here

trRosetta - Nan occuring in Hbond calculation

1 post / 0 new
trRosetta - Nan occuring in Hbond calculation
#1

Hi everyone, 

 I apologize in advance if I am missing out on any critical detail that is relevant for troubleshooting this, but i'm completely new to trRosetta so please bear with me.

Currently, I am trying to run it with an MSA in order to construct an ab initio model for a target protein but I keep running into the following error

----------

core.scoring.hbonds.hbonds_geom: [ ERROR ] NAN occurred in H-bonding calculations!

core.scoring.hbonds.hbonds_geom: [ ERROR ] Dxyz                    -NAN                    -NAN                    -NAN  Hxyz       7.411149893106956       5.703168062774710      -11.29418962926737

---------------

My current input command is as follows:

$ROSETTA3/trRosetta.tensorflow_gpu.linuxgccrelease -backbone_randomization_mode ramachandran  -trRosetta:msa_file post_MSA.a3m -in:file:fasta 1.fa -mutate_gly_to_ala false -fullatom_refinement false -use_phi_constraints false

.Before using trRosetta, I've used CM Rosetta and the rna modelling suite without any issues so I really have no idea how to resolve this

thanks in advance to the responders,

Yoav

 

Category: 
Post Situation: 
Mon, 2021-10-04 09:16
y_atsmonraz