[gmx-users] topolgen

Srinivasa Ramisetti s.b.ramisetti at leeds.ac.uk
Wed Jul 11 10:48:06 CEST 2018

Try running this command from the directory where topolgen.pl script is 

On 11/07/2018 09:43, farial tavakoli wrote:
> Dear gromacs users
> I am trying to run a simulation on my complex which has small molecule as a ligand , using OPLSAA ff. so I downloaded the topolgen-1.1.tgz and then installed perl script on linux. then typed "perl -v" to check if it is installed. the perl 5.20.1 is installed.
> but when I typed " perl topolgen.pl -f input.pdb -o output.top [-type itp/top] " command to generate ligand topology , faced with this error:
> Can't open perl script "topolgen.pl": No such file or directory
> Is there anyone to  help me to figure out this problem?
> Infact I am new user in generation topology for small molecules using OPLSAA ff.
> best
> Farial

More information about the gromacs.org_gmx-users mailing list