Thanks to Yang Ye, Erik, Mark, I appreciate your help a few days ago.
I found a clear answer to the communication congestion in the citation
given by Yang Ye, to Carsten Kutzner's Powerpoint presentation at URL
http://wwwuser.gwdg.de/%7Eckutzne/talks/kutzner04talk-gromacs.pdf
Page 21 has a sli
You need to put the atom types defined in ffamber under [ atoms ] as
replacement of original
1 amber99_54 1 SOL OW 1 -0.82 15.99940
2 amber99_55 1 SOLHW1 1 0.41 1.00800
3 amber99_55 1 SOLHW2 1 0.41 1.00800
It is good to em
2 jun 2007 kl. 08.59 skrev David van der Spoel:
Alaguraj Veluchamy wrote:
Dear gmx-users,
I am trying to simulate protein-DNA complex and i am using AMBER
port for ForceField. I have edited my PDB and spc.itp to suit
parameters. While preprocessing the following error is shown.
The number
priyanka srivastava wrote:
Dear Mark,
Thanx for your reply.
Chapter 5 describes it, but I guess that is described
in a more general way! GORMOS87 uses a different kind
of scaling which is not mentioned in chapter 5 and
hence I am just curious to know whether GROMOS96 also
uses same scaling sc
Dear Mark,
Thanx for your reply.
Chapter 5 describes it, but I guess that is described
in a more general way! GORMOS87 uses a different kind
of scaling which is not mentioned in chapter 5 and
hence I am just curious to know whether GROMOS96 also
uses same scaling scheme as is used for GROMOS87 o
Alaguraj Veluchamy wrote:
Dear gmx-users,
I am trying to simulate protein-DNA complex and i am using AMBER port
for ForceField. I have edited my PDB and spc.itp to suit parameters.
While preprocessing the following error is shown.
The number of atoms in .top and .gro files are not matching. It
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