espected sir,
i am using protein-ligand complex tutorials .this my problem .i have all
process has been done but like energy minimization result is not coming
what we do sir ?
my command line gmx mdrun -v -deffnm em
how to find the clarify the problem?
pls tell me sir
GROMACS: gmx mdrun, VERSION 5.1.2
Executable: /usr/local/bin/gmx
Data prefix: /usr
Command line:
gmx mdrun -v -deffnm em
*ymbol lookup error: gmx: undefined symbol: getFilenm---this my problem sir*
Running on 1 node with total 4 cores, 8 logical cores
Hardware detected:
CPU info:
Vendor: GenuineIntel
Brand: Intel(R) Core(TM) i7-3770 CPU @ 3.40GHz
SIMD instructions most likely to fit this hardware: AVX_256
SIMD instructions selected at GROMACS compile time: SSE2
Compiled SIMD instructions: SSE2, GROMACS could use AVX_256 on this
machine, which is better
Reading file em.tpr, VERSION 5.1.2 (single precision)
Using 1 MPI thread
Using 8 OpenMP threads
*ymbol lookup error: gmx: undefined symbol: getFilenm---this my problem sir*
bioinformatics@bioinformatics-desktop:~/Desktop/Gromacs$ ls
em.mdp mdout.mdp RET.pdb RLBP_solv_ions.gro topol.top
complex.gro em.tpr #mdout.mdp.1# RLBP1.gro solv.gro
#topol.top.1#
drg.itp ions.tpr minim.mdp RLBP1.pdb #temp.topRLSaIL.1#
#topol.top.2#
em.log JZ4 model posre.itp RLBP_newbox.gro #temp.topW9R5zG.1#
this file run the energy minimization
--
Regards,
T. Vigneshnwaran,
M.Tech final year Bioinformatics,
Bharathidasan University,
Trichy, Tamilnadu, India.
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