[gmx-users] gmx sasa output group not recognised

[Francesco Carbone]

Good morning,
I've recently started using gromacs 5.0.4 and I can't make"gmx sasa" to
recognise non-standard groups for the -output flag.
I have three groups (G6P, Co-enzyme and strNADP+; all subset of the dimer )
and every time I specify one of the three with "-output" flag I get:
"Inconsistency in user input: Output selection is not a subset of the input
selection ".
I created the groups with make_ndx and "gmx sasa" see them correctly
(option 10,11 and 12) and these are the commands that I tried:

1) gmx sasa -s Ameno_500.tpr -f Ameno_500.xtc -n Ameno.ndx -surface
"Protein" -output "G6P" -o ciao.xvg -dt 250

2) gmx sasa -s Ameno_500.tpr -f Ameno_500.xtc -n Ameno.ndx -surface "1"
-output "10" -o ciao.xvg -dt 250

2) (echo "Protein"; echo "G6P") | gmx sasa -s Ameno_500.tpr -f
Ameno_500.xtc -n Ameno.ndx -surface -output -o ciao.xvg -dt 250

3) gmx sasa -s Ameno_500.tpr -f Ameno_500.xtc -n Ameno.ndx -surface
"Protein" -output -o ciao.xvg -dt 250
and then typing 10 + ctrl-D

with gromacs 4.6 the command was:

(echo "Protein"; echo "G6P") | $groPATH/$g_sas -s ../$tpr -f ../$trj -n
wt.ndx -o g6p_area.xvg" -or g6p_resarea.xvg" -dt 250 -b 0

Thank you for your time,

Regards,

Francesco