g_gmxcheck: command not found

Have You tried accessing the binary with the full path?

Maybe Your $PATH variable doesn't contain the default paths? echo $PATH should give something like:

[root@server ~]# echo $PATH

If it's empty, You may set the PATH variable with this command

export PATH="/usr/local/sbin:/usr/local/bin:/sbin:/bin:/usr/sbin:/usr/bin:/root/bin"

On CentOS possible default full paths are:

/usr/bin/g_gmxcheck - from package: gromacs

You may install the required package with command yum install {package}
Error in other languages:
g_gmxcheck: bevel nie gevind nie
g_gmxcheck: comandă negăsită
g_gmxcheck: comando não encontrado
g_gmxcheck: commande introuvable
g_gmxcheck: command not found
g_gmxcheck: käsku ei ole
g_gmxcheck: không tìm thấy lệnh
g_gmxcheck: komanda nerasta
g_gmxcheck: Kommando nicht gefunden.
g_gmxcheck: kommandot finns inte
g_gmxcheck: komut yok
g_gmxcheck: nie znaleziono polecenia
g_gmxcheck: níor aimsíodh an t-ordú
g_gmxcheck: no se encontró la orden
g_gmxcheck: no s'ha trobat l'ordre
g_gmxcheck: opdracht niet gevonden
g_gmxcheck: parancs nem található
g_gmxcheck: perintah tidak ditemukan
g_gmxcheck: príkaz nenájdený
g_gmxcheck: příkaz nenalezen
g_gmxcheck: команда не найдена
g_gmxcheck: командата не е открита
g_gmxcheck: 命令找不到
g_gmxcheck: コマンドが見つかりません