Re: [gmx-users] grompp error - incorrect number of parameters

2012-05-17 Thread Mark Abraham
On 17/05/2012 11:47 PM, Lara Bunte wrote: Hello After grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr I got the error: Incorrect number of parameters - found 2, expected 4 or 4 for U-B. I thought that this could be an inconsistency be declaring the functions, but in my topology

Re: [gmx-users] grompp error - incorrect number of parameters

2012-05-17 Thread Justin A. Lemkul
On 5/17/12 9:47 AM, Lara Bunte wrote: Hello After grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr I got the error: Incorrect number of parameters - found 2, expected 4 or 4 for U-B. I thought that this could be an inconsistency be declaring the functions, but in my topology I

[gmx-users] grompp error - incorrect number of parameters

2012-05-17 Thread Lara Bunte
Hello After grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr I got the error: Incorrect number of parameters - found 2, expected 4 or 4 for U-B. I thought that this could be an inconsistency be declaring the functions, but in my topology I have function 4 (for improper dihedrals)

Re: [gmx-users] grompp error: Incorrect number of parameters - found 1, expected 2 or 4

2009-01-29 Thread Justin A. Lemkul
In the manual, have a look at Table 5.4; you are missing lots of parameters within the topology (masses, force constants for bonds and angles...) -Justin Oliver Masur wrote: Hi, i'm still trying to use the genbox command to put h2po4 (aka DHP) in the box. i've got a gro file for h2po4:* *DH

[gmx-users] grompp error: Incorrect number of parameters - found 1, expected 2 or 4

2009-01-29 Thread Oliver Masur
Hi, i'm still trying to use the genbox command to put h2po4 (aka DHP) in the box. i've got a gro file for h2po4:* *DHP 7 1DHP O1 1 2.725 1.500 1.066 -0.0608 0.4317 -0.3840 1DHP O2 2 0.438 0.887 1.066 -0.1943 -0.6301 -0.3887 1DHP O3 3 0.438 2.113 1