Am 07.04.2009 um 13:46 schrieb akalabya bissoyi:
hello gromacs,
i want to know the changes to be done in md.mdp files for 10 ns.
i am trying to run it but it's showing the following message.
... the following message is the output of an energy minimization and
not a MD run. I suggest to do
Am 23.03.2009 um 03:45 schrieb Jack Shultz:
Hey Jack,
WARNING: atom HB1 is missing in residue LYSH 124 in the pdb file
You might need to add atom HB1 to the hydrogen database of
residue LYSH
in the file ff???.hdb (see the manual)
isn't amber using LYN and LYP for lysines? A
Am 05.03.2009 um 07:44 schrieb Dechang Li:
Not sure about VMD, but you can write a short script for pymol in
python:
1: reading velocities from gro
2: converting gro2pdb
3: read in pdb into pymol
4: create cgo object containing arrow (search in the list archives or
on the wiki page of pymo
3 matches
Mail list logo
