Re: [gmx-users] free energy and UB term

2011-12-15 Thread Mark Abraham
On 16/12/2011 7:22 AM, lq z wrote: Dear GMXers, I'm trying to manually add two sets of Urey-Bradley terms to the topology file (in [angle] entry with type 5). However, it seems it is not allowed. I got the following error: Incorrect number of parameters - found 8, expected 4 or 4 for U-B. I

[gmx-users] free energy and UB term

2011-12-15 Thread lq z
Dear GMXers, I'm trying to manually add two sets of Urey-Bradley terms to the topology file (in [angle] entry with type 5). However, it seems it is not allowed. I got the following error: Incorrect number of parameters - found 8, expected 4 or 4 for U-B. Is it true that I can't do this in gromac