Re: [ccp4bb] Future Diffraction Methods

2022-12-24 Thread Debanu Das
Consider merging with the Annual ACA meeting. The ACA meeting can also benefit from more X-ray diffraction methods rigor and training and it will help to elevate the continuity and history of the ACA and its previous and current member participation and contributions in the field. Best, Debanu On

Re: [ccp4bb] Regarding RNA simulation through Gromacs

2022-12-24 Thread Kay Diederichs
Hallo Abhilasha Thakur, (I am not a Gromacs user, but I'll nevertheless try to answer) You'll have to identify the Amber99 forcefield topology file, and read it to find out the naming of RNA atoms in that file. The error message asks you to change (e.g. using an editor) the atom names in your