Dear users,
While running a ligand bound MD using AMber03 force field. I got the
following error
after ~ 4.9 ns
The initial cell size (1.247705) is smaller than the cell size limit
(1.586683), change options -dd, -rdd or -rcon, see the log file for details
Initially I ran using 64 nodes (till 3.3
Dear gmx users,
I would like to calculate persistence length of
DNA using gromacs command g_polystat . The out put file of persists.xvg
contains persistence length in number of bonds and it shows that the
average persistence length = 4.3 bonds. How can we convert no of b
Dear gromacs users
I want to use LAMBADA and InflateGRO2 to create a system containing
dopc lipid + cholesterol + drug.
When I use
~/lib/lambada/lambada_rc1/lambada -f1 drug.gro -f2 lipid_chol.gro
I encountered with
Illegal division by zero at /home/karami/lib/lambada/
lambada_rc1/lambada line
On 7/21/13 12:18 AM, Collins Nganou wrote:
Dear Users,
when trying to run the following command:
mdrun -v -deffnm protein-EM-solvated -c protein-EM-solvated.pdb
I have received the error below.
Reading file dna-EM-solvated.tpr, VERSION 4.5.5 (single precision)
Starting 2 threads
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