[gmx-users] Fwd: Fwd: Need some assistence

(em.mdp and con1.mdp) and commands (commands1). Thank you very much i appreciate any and all advice given by you. Best Regards Ruben Cloete South Africa ; Conjugate gradient with morse potential in vacuo ; User Kerrigan (236) ; ; Input file ; cpp = /usr/bin/cpp constraints

[gmx-users] steepest descents followed by conjugated gradient

Hi Justin i see lots of papers perform steepest descent followed by conjugated gradients. My question do i use the .gro output file as input to perform conjugated gradient minimization as shown in the commands below? or do i repeat pdb2gmx, editconf and genbox on the trajectory file (protA_em.