[gmx-users] acpype

farial tavakoli farial.tavakoli at ymail.com
Wed Oct 24 10:11:53 CEST 2018

Dear GMX useres
I am trying to convert .OFF and .FRCMOD files obtained from AMBER parameter database (Bryce Group: Computational Biophysics and Drug Design - University of Manchester) to the format that GROMACS is compatible with in .rtp files. so referred to GROMACS tutorial protein-ligand complex and downloaded acpype. installed it using its readme.txt file but whenever i typed    ../acpype.py -i FFF.pdb   At folder *acpype/test*   (/Downloads/acpype-master/acpype) or    (/Downloads/acpype-master/acpype/test) faced to this error:
bash: ../acpype.py: No such file or directory

while when I typed whereis acpype in terminal , the operating system says :acpype: /usr/local/bin/acpype

 it means there is the executable file of acpype . so how come I type  ../acpype.py -h or ../acpype -i FFF.pdb , the system says NO such file or directory?Is there anyone who ca help me?I really would be appreciated it if one help me to solve this and can convert the AMBER format files to GRMACS format files.
best regardsFarial

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