[gmx-users] dihedral restraints

[Jessica Leuchter]

Dear All,

I would like to add dihedral restraints to 10 residues in my topology
file using the newest version of gromacs.  I have done the
following(see below) to my topology file. And this is the *grompp
command* I am using: gmx grompp -f ions.mdp -c 1AKI_solv.gro -p
topol.top -o ions.tpr. But I am getting the error message below.

*topol.top file*:

[ dihedral_restraints ]
;  ai       aj    ak      al        fnID    phi    dphi    kfac

 1497  1499  1509  1511     9    -70.488     0       1
 1499  1509  1511  1513     9    -12.561     0       1
 1511  1513  1515  1518     9     95.706     0       1
 1513  1515  1518  1520     9   -117.614     0       1
 1518  1520  1522  1530     9   -111.163     0       1
 1520  1522  1530  1532     9    -72.034     0       1
 1530  1532  1534  1542     9   -108.627     0       1
 1532  1534  1542  1544     9   -103.437     0       1
 1542  1544  1554  1556     9    -80.981     0       1
 1544  1554  1556  1558     9     46.231     0       1
 1556  1558  1560  1570     9   -107.016     0       1
 1558  1560  1570  1572     9     20.452     0       1
 1570  1572  1574  1587     9    -82.626     0       1
 1572  1574  1587  1589     9    169.300     0       1
 1587  1589  1591  1608     9    -82.868     0       1
 1589  1591  1608  1610     9    -47.555     0       1
 1608  1610  1612  1623     9    -39.285     0       1
 1610  1612  1623  1625     9    -72.644     0       1
 1623  1625  1627  1642     9     -7.261     0       1
 1625  1627  1642  1644     9    -51.880     0       1
 1642  1644  1646  1652     9    -38.845     0       1
 1644  1646  1652  1654     9    -73.856     0       1


*Fatal error:*
Incorrect number of parameters - found 2, expected 3 or 6 for Dih. Rest..
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Kind Regards,
Jessica


-- 
Jessica Leuchter
Wake Forest University 2014
954.591.2222