Re: [gmx-users] Ac-CoA topology problem

2009-05-27 Thread Justin A. Lemkul
Thamu wrote: Hi gmx-users, I am a new user of gromacs. I am trying to simulate a protein with cofactor Acetyl-CoA. I have generated gromacs topology for cofactor using prodrg server. I used OPLS-AA force field. I got the error message " Fatal error: Atomtype OA not found. PRODRG generate

[gmx-users] Ac-CoA topology problem

2009-05-27 Thread Thamu
Hi gmx-users, I am a new user of gromacs. I am trying to simulate a protein with cofactor Acetyl-CoA. I have generated gromacs topology for cofactor using prodrg server. I used OPLS-AA force field. I got the error message " Fatal error: Atomtype OA not found. I couldn't fix this problem. Could an