hiii
thank for your reply mark sory for pasting other url
iam using gromacs 3.3 version on sunsolaris platform,my protein contain 86
aminoacid and iam trying to unfold it at 640k
hear iam pasting the command which i was used for final mdrun
grompp -c 1HB6M_pr.gro -p 1HB6M.top -o 1HB6uf_b4full.tpr
Hi all,
iam trying to unfold 86 amino acid contain peptide at 640k .
but my final mdrun terminated with following error:
-
15 steps,300.0 ps.
step 22790, will finish at Tue Feb 5 19:41:24 2008-
Program mdrun, VERSION 3.3
Source
Hello users,
iam using gromacs 3.3 version on linux platform.my protein contain 86
residues and ligand molecule (palmityl coA)
i got the error while running pdb2gmx with force field gromacs96 43a1.it is
saying that
Fatal error:
Residue 'COA' not found in residue topology database
i wil be very t
73529
--
regards
vijay kumar
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Respected sir/madem,
i am using gromacs - 3.1.4 version on sunsolaris platform.i got error at
position restrain at grompp step ,telling dat NO SUCH MOLECULE TYPE
NA+(both are in caps).beofre dat the error which i got , ihv done following
steps
1.first i hv excuted pdb2gmx command den i noted down
what is way to solve this prob Chain identifier '5'
was used in two non-sequential blocks (residue 4, atom
4)
the pdb file is for Si atoms
no. of atoms 32 at differeent places
ATOM 1 Si.66599000 .66599000
.66599000
ATOM 2 Si 7.30599000 .66599000
.66599000
ATOM
can any one send me a format of pdb file of epoxy
resin,i want to simulate just epoxy resin crystal
lattice cubic box size of 12 am and distance between
each cube is 6 am using boundary temperature
pdb file of epoxy resin CH2CHO (cubic structure) total
of 8 lattices
if possible topology file and st
hi everyone
I am new to gromacs software all i need to do is
submit my project in 2 months first thing i am able
to do is work with demos ,i did them perfectly but the
thing is now i need to edit the water molecule pdb
file and start a new project i.e. now i need to create
a new pdb file with 20 m
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