[gmx-users] gromacs 4.6.4 version - nvt equilibration error

vsharma at imtech.res.in vsharma at imtech.res.in
Tue Nov 19 14:48:37 CET 2013


 

hell all .. 

i am trying to simulate 414 aa long protein 

i am getting following error on giving command for NVT equilibrations: 
COMMAND : MDRUN -DEFFNM NVT -V 

ERROR:
File input/output error: 
Cannot write trajectory frame; maybe you are out of disk space? 

i have gromacs 4.6.4 version, 12.04 ubuntu, 7.9GiB memory and 976 GB 
Disk space, i am simulating 414aa long protein for 10ns. 

i have confirmed working status for my parameter files as with gromacs
4.5.5, dynamics are working properly. 

i doubt, if there are some issues with gromacs 4.6.4 version

any help 

-- 
VANDNA
JRF
C/O Dr. Girish Sahni
Protein Science lab
Phone No. 0172-2690830
Institurte of Microbial Technology (IMTech)
Sector -39A, Chandigarh,160036
 


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