Dear all:
I am trying use antichamber to generate an tpr file for a special
residue. When I got the converted tpr file, I noticed that the "func" in
[dihendral] is 3, that means it is a Rychaert-Bellemans dihendral. But the
Amber03 forcefield use dihendral type 9(func 9). So does anyone
Dear gmx users:
I encountered a problem when I was installing the gromacs. I used "cmake
.. -DGMX_SMID=AVX2_256" command try to support my new intel CPU,but the system
reports the following things:
-- Compiler flag was valid, but executable did not build - perhaps update the
Hi everyone, I encountered a problem when I using pdb2gmx to convert a pdb file
into gro and top file. The system give me a fatal error message as following:
Fatal error:
Residue 145 named LYS of a molecule in the input file was mapped
to an entry in the topology database, but the atom CG used
