[gmx-users] protein-ligand complex mdrun errors
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.grosolv.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. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] protein-ligand complex mdrun errors
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.grosolv.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. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] protein-ligand complex mdrun errors
respected 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.grosolv.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. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
