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
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
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)
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
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
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